1-(3-chlorophenyl)-3-phenylpyrazole

C15H11ClN2 — CID 170994248

IUPAC1-(3-chlorophenyl)-3-phenylpyrazole
SMILESClc1cccc(-n2ccc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H11ClN2/c16-13-7-4-8-14(11-13)18-10-9-15(17-18)12-5-2-1-3-6-12/h1-11H
InChIKeyMWPJZUFXFUYZHY-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.19
Rot. Bonds2

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

1-(3-chlorophenyl)-3-phenylpyrazole (PubChem CID 170994248) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-phenylpyrazole
PubChem CID170994248
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name1-(3-chlorophenyl)-3-phenylpyrazole
SMILESClc1cccc(-n2ccc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H11ClN2/c16-13-7-4-8-14(11-13)18-10-9-15(17-18)12-5-2-1-3-6-12/h1-11H
InChIKeyMWPJZUFXFUYZHY-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-phenylpyrazole
CID 135064908
methyl 3-[3-(4-chlorophenyl)pyrazol-1-yl]benzoate
CID 11709408
1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole
CID 137490016
2-[1-(3-chlorophenyl)pyrazol-3-yl]acetonitrile
CID 116818243
1-(3-chlorophenyl)-3-phenylpyrazole-4-carbonitrile
CID 97182239
benzyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 60546555
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520
2-chloro-3-(3-phenylpyrazol-1-yl)quinoxaline
CID 58247217
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
1-[5-[1-(3-chlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862151
2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818134
2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 24721482

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-phenylpyrazole?
The IUPAC name of 1-(3-chlorophenyl)-3-phenylpyrazole (CID 170994248) is 1-(3-chlorophenyl)-3-phenylpyrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-3-phenylpyrazole?
The canonical SMILES for 1-(3-chlorophenyl)-3-phenylpyrazole is Clc1cccc(-n2ccc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-phenylpyrazole?
The InChIKey is MWPJZUFXFUYZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-13-7-4-8-14(11-13)18-10-9-15(17-18)12-5-2-1-3-6-12/h1-11H.
What are the key properties of 1-(3-chlorophenyl)-3-phenylpyrazole?
1-(3-chlorophenyl)-3-phenylpyrazole has a molecular weight of 254.72 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-phenylpyrazole is sourced from PubChem (CID 170994248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).