1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole

C16H13ClN2 — CID 683196

IUPAC1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
SMILESCc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H13ClN2/c1-12-11-19(15-9-7-14(17)8-10-15)18-16(12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyYNFHGUPPMLNDRH-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.50
Rot. Bonds2

About 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole

1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole (PubChem CID 683196) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
PubChem CID683196
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
SMILESCc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H13ClN2/c1-12-11-19(15-9-7-14(17)8-10-15)18-16(12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyYNFHGUPPMLNDRH-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865
3-(4-chlorophenyl)-1-phenylpyrazol-4-ol
CID 99938046
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
2-(4-chlorophenyl)-5-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 90643446
CID 67048003
CID 67048003
1,3,4-triphenylpyrazole
CID 555882
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950
3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole
CID 142747374
1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
CID 83203236

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole (CID 683196) is 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole is Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole?
The InChIKey is YNFHGUPPMLNDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-12-11-19(15-9-7-14(17)8-10-15)18-16(12)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole?
1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole has a molecular weight of 268.75 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole is sourced from PubChem (CID 683196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).