3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzaldehyde hydrochloride

3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzaldehyde hydrochloride

CAS: 1033076-71-9

Formula: C14H17ClN2O2

SMILES: Cl.COC1=C(CC2=C(C)NN=C2C)C=C(C=O)C=C1

IUPAC: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzaldehyde hydrochloride

InChI: InChI=1S/C14H16N2O2.ClH/c1-9-13(10(2)16-15-9)7-12-6-11(8-17)4-5-14(12)18-3;/h4-6,8H,7H2,1-3H3,(H,15,16);1H

Composition: C (59.89%), H (6.10%), Cl (12.63%), N (9.98%), O (11.40%)

Molar Mass: 280.75

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.0978555
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OVVNHODDZIUFCD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.27
Topological Polar Surface Area	54.98
Polarizability	26.43
Ring Count	2
Rotatable Bond Count	4

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