[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol

C17H15ClN2O — CID 102580261

IUPAC[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol
SMILESCc1nn(-c2ccccc2)c(Cl)c1-c1ccc(CO)cc1
InChIInChI=1S/C17H15ClN2O/c1-12-16(14-9-7-13(11-21)8-10-14)17(18)20(19-12)15-5-3-2-4-6-15/h2-10,21H,11H2,1H3
InChIKeyCTMXRRAALMTDNW-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.99
Rot. Bonds3

About [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol

[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol (PubChem CID 102580261) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol
PubChem CID102580261
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol
SMILESCc1nn(-c2ccccc2)c(Cl)c1-c1ccc(CO)cc1
InChIInChI=1S/C17H15ClN2O/c1-12-16(14-9-7-13(11-21)8-10-14)17(18)20(19-12)15-5-3-2-4-6-15/h2-10,21H,11H2,1H3
InChIKeyCTMXRRAALMTDNW-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-(hydroxymethyl)benzoate
CID 46607202
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
(4-chloro-5-methyl-1-phenylpyrazol-3-yl)methanol
CID 118148435
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 91645010
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 156903975
(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
CID 6483733
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 111449274
(5S)-5-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
CID 2434050

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol?
The IUPAC name of [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol (CID 102580261) is [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol.
What is the SMILES notation for [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol?
The canonical SMILES for [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol is Cc1nn(-c2ccccc2)c(Cl)c1-c1ccc(CO)cc1.
What is the InChIKey of [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol?
The InChIKey is CTMXRRAALMTDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-16(14-9-7-13(11-21)8-10-14)17(18)20(19-12)15-5-3-2-4-6-15/h2-10,21H,11H2,1H3.
What are the key properties of [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol?
[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol has a molecular weight of 298.77 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol is sourced from PubChem (CID 102580261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).