2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile

C23H18ClN3 — CID 17020341

IUPAC2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H18ClN3/c24-20-13-11-19(12-14-20)23(16-25)27-22(18-9-5-2-6-10-18)15-21(26-27)17-7-3-1-4-8-17/h1-14,22-23H,15H2
InChIKeyBQDVOCMNUGYZHR-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.76
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile

2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile (PubChem CID 17020341) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile
PubChem CID17020341
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC Name2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H18ClN3/c24-20-13-11-19(12-14-20)23(16-25)27-22(18-9-5-2-6-10-18)15-21(26-27)17-7-3-1-4-8-17/h1-14,22-23H,15H2
InChIKeyBQDVOCMNUGYZHR-UHFFFAOYSA-N
XLogP5.76
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Bis(4-chlorophenyl)-4,5-dihydro-1-phenyl-1H-pyrazole
CID 561652
3-(4-Chlorophenyl)-4,5-dihydro-1,5-diphenyl-1H-pyrazole
CID 101167
2-Pyrazoline, 5-(p-chloro-phenyl)-1,3-diphenyl-
CID 248777
N,N-Dibenzyl-N''-[1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazine
CID 9690663
3-(4-chlorophenyl)-1-ethyl-4-phenyl-4,5-dihydro-1H-pyrazole
CID 11842292
3-(3-Chlorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164427
{2-[5-(4-Chloro-phenyl)-1-methyl-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl]-ethyl}-diethyl-amine
CID 10474282
1-(3,4-Dichloro-benzyl)-3-phenyl-1,4,5,6-tetrahydro-pyridazine
CID 10710737
3-(4-Chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole
CID 2738084
3-(2-Chlorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164426
3-(4-Chlorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164428
(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,5-dimethyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 90668481

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile (CID 17020341) is 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile is N#CC(c1ccc(Cl)cc1)N1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The InChIKey is BQDVOCMNUGYZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3/c24-20-13-11-19(12-14-20)23(16-25)27-22(18-9-5-2-6-10-18)15-21(26-27)17-7-3-1-4-8-17/h1-14,22-23H,15H2.
What are the key properties of 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile has a molecular weight of 371.87 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)acetonitrile is sourced from PubChem (CID 17020341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).