[5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone

C22H18ClN3O — CID 162665534

IUPAC[5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESCc1ccc(C2C=C(c3ccc(Cl)cc3)NN2C(=O)c2ccncc2)cc1
InChIInChI=1S/C22H18ClN3O/c1-15-2-4-17(5-3-15)21-14-20(16-6-8-19(23)9-7-16)25-26(21)22(27)18-10-12-24-13-11-18/h2-14,21,25H,1H3
InChIKeyOMTQCUOPHIWCNW-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.79
Rot. Bonds3

About [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone

[5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (PubChem CID 162665534) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
PubChem CID162665534
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name[5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESCc1ccc(C2C=C(c3ccc(Cl)cc3)NN2C(=O)c2ccncc2)cc1
InChIInChI=1S/C22H18ClN3O/c1-15-2-4-17(5-3-15)21-14-20(16-6-8-19(23)9-7-16)25-26(21)22(27)18-10-12-24-13-11-18/h2-14,21,25H,1H3
InChIKeyOMTQCUOPHIWCNW-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-benzoic acid (1-pyridin-2-yl-ethylidene)-hydrazide
CID 9590741
2-chloro-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 5411796
N'-(4-chlorobenzylidene)isonicotinohydrazide
CID 6861518
4-chloro-N'-[(pyridin-2-yl)methylidene]benzohydrazide
CID 6792924
4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrido[3,4-d]pyridazin-1-one
CID 71458203
2-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-4-[(4-chlorophenyl)methyl]pyrido[3,4-d]pyridazin-1-one
CID 71461782
N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride
CID 127042281
N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide
CID 757999
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide
CID 965557
N-[(E)-1-(4-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6920356
2-(4-Chlorophenyl)-4-(4-fluorophenyl)-1,2-dihydro-5-(4-pyridinyl)-3H-pyrazol-3-one
CID 4665
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (CID 162665534) is [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is Cc1ccc(C2C=C(c3ccc(Cl)cc3)NN2C(=O)c2ccncc2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The InChIKey is OMTQCUOPHIWCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-15-2-4-17(5-3-15)21-14-20(16-6-8-19(23)9-7-16)25-26(21)22(27)18-10-12-24-13-11-18/h2-14,21,25H,1H3.
What are the key properties of [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
[5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone has a molecular weight of 375.86 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 162665534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).