3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol

C13H15ClN2O — CID 170887531

IUPAC3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(-c2ccccc2)c(Cl)c1CCCO
InChIInChI=1S/C13H15ClN2O/c1-10-12(8-5-9-17)13(14)16(15-10)11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3
InChIKeyKPQYKKFHPWBXFP-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.76
Rot. Bonds4

About 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol

3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol (PubChem CID 170887531) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
PubChem CID170887531
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
SMILESCc1nn(-c2ccccc2)c(Cl)c1CCCO
InChIInChI=1S/C13H15ClN2O/c1-10-12(8-5-9-17)13(14)16(15-10)11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3
InChIKeyKPQYKKFHPWBXFP-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol
CID 170887609
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 111449274
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
CID 1124684
[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 110909353
3-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 110906395
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-(hydroxymethyl)benzoate
CID 46607202
(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
CID 6483733
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol
CID 102580261

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol (CID 170887531) is 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol is Cc1nn(-c2ccccc2)c(Cl)c1CCCO.
What is the InChIKey of 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol?
The InChIKey is KPQYKKFHPWBXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-10-12(8-5-9-17)13(14)16(15-10)11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3.
What are the key properties of 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol?
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol has a molecular weight of 250.73 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 170887531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).