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4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide

4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide

CAS: 844442-38-2

Formula: C16H17Cl2N5O2

SMILES: ClC1=CC=CC(Cl)=C1C(=O)NC1=CNN=C1C(=O)NC1CCNCC1

IUPAC: 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide

InChI: InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)

Composition: C (50.28%), H (4.48%), Cl (18.55%), N (18.32%), O (8.37%)

Molar Mass: 382.25

Atom Count: 42

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 381.0759302
Formal Charge 0
FSP3 0.31
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 4
InChIKey OVPNQJVDAFNBDN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.65
Topological Polar Surface Area 98.91
Polarizability 36.49
Ring Count 3
Rotatable Bond Count 4

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