3-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1H-pyrazole dihydrochloride

3-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1H-pyrazole dihydrochloride

CAS: 1217731-62-8

Formula: C13H16Cl2FN3

SMILES: Cl.Cl.FC1=CC=C(C=C1)[C@@H]1CNC[C@H]1C1=NNC=C1

IUPAC: 3-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1H-pyrazole dihydrochloride

InChI: InChI=1S/C13H14FN3.2ClH/c14-10-3-1-9(2-4-10)11-7-15-8-12(11)13-5-6-16-17-13;;/h1-6,11-12,15H,7-8H2,(H,16,17);2*1H/t11-,12+;;/m0../s1

Composition: C (51.33%), H (5.30%), Cl (23.31%), F (6.25%), N (13.81%)

Molar Mass: 304.19

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	303.0705311
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XBBDZYBMPRMHFX-UVDYRLMLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.8
Topological Polar Surface Area	40.71
Polarizability	24.39
Ring Count	3
Rotatable Bond Count	2

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