4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine

C20H14ClN3 — CID 154450711

IUPAC4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
SMILESClc1ccc(-c2c(-c3ccncc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C20H14ClN3/c21-17-8-6-16(7-9-17)20-19(15-10-12-22-13-11-15)14-23-24(20)18-4-2-1-3-5-18/h1-14H
InChIKeySKZNWFUIGPBTNI-UHFFFAOYSA-N
MW331.81 g/mol
LogP5.25
Rot. Bonds3

About 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine

4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine (PubChem CID 154450711) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
PubChem CID154450711
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
SMILESClc1ccc(-c2c(-c3ccncc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C20H14ClN3/c21-17-8-6-16(7-9-17)20-19(15-10-12-22-13-11-15)14-23-24(20)18-4-2-1-3-5-18/h1-14H
InChIKeySKZNWFUIGPBTNI-UHFFFAOYSA-N
XLogP5.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
CID 20855127
4-(4-chlorophenyl)sulfanyl-5-(4-methylsulfonylphenyl)-1-phenylpyrazole
CID 44595106
4-[4-(4-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid
CID 135368263
(E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine
CID 50929865
1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile
CID 15365439
(5-phenyl-1-pyridin-4-ylpyrazol-4-yl)methanamine
CID 61368343
9-chloro-3-phenyl-13-oxa-3,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
CID 11405222
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole
CID 13171070
2-(1,5-diphenylpyrazol-4-yl)-1H-benzimidazole
CID 15468395
4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 3736424
2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidine;dihydrochloride
CID 23470876

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine (CID 154450711) is 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine is Clc1ccc(-c2c(-c3ccncc3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine?
The InChIKey is SKZNWFUIGPBTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-17-8-6-16(7-9-17)20-19(15-10-12-22-13-11-15)14-23-24(20)18-4-2-1-3-5-18/h1-14H.
What are the key properties of 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine has a molecular weight of 331.81 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine is sourced from PubChem (CID 154450711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).