[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol

C16H13ClN2O — CID 740178

IUPAC[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-10,20H,11H2
InChIKeyRGRYFKFGOCASDE-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.68
Rot. Bonds3

About [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol

[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 740178) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol
PubChem CID740178
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-10,20H,11H2
InChIKeyRGRYFKFGOCASDE-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-chlorophenyl)methanol
CID 11475733
3-(4-Bromophenyl)-1-phenyl-1H-pyrazole-4-methanol
CID 740185
(E)-3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 5344074
[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 740195
3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 829984
1-(4-Chlorophenyl)-3-phenyl-pyrazole-4-carboxylic acid
CID 43217704
(2E)-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 746768
(4-Chloro-phenyl)-[(4aR,5S)-1-(4-fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-methanol
CID 44394837
(E)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[(2-fluorophenyl)methoxy]methanimine
CID 127025163
(E)-N-[(2-chlorophenyl)methoxy]-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 127036623
(E)-N-[(2-chlorophenyl)methoxy]-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 127036935

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol (CID 740178) is [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol is OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is RGRYFKFGOCASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-10,20H,11H2.
What are the key properties of [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol?
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 284.75 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 740178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).