[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol

C13H15ClN2O — CID 82087529

IUPAC[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol
SMILESCC(C)c1cc(CO)nn1-c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c1-9(2)13-7-10(8-17)15-16(13)12-6-4-3-5-11(12)14/h3-7,9,17H,8H2,1-2H3
InChIKeyXMPLIMHAYUSUIL-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.14
Rot. Bonds3

About [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol

[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol (PubChem CID 82087529) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol
PubChem CID82087529
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol
SMILESCC(C)c1cc(CO)nn1-c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c1-9(2)13-7-10(8-17)15-16(13)12-6-4-3-5-11(12)14/h3-7,9,17H,8H2,1-2H3
InChIKeyXMPLIMHAYUSUIL-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]acetic acid
CID 98022813
[1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82091419
[1-(5-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82091414
5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 43381542
[1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol
CID 58320698
1-(2-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 5094292
[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol
CID 62892945
2-[[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]amino]propanoic acid
CID 119348791
2-[1-(2-chlorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62409903
2-[butan-2-yl-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
CID 120529915
[2-chloro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
CID 62488143
[5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol
CID 86631728

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol?
The IUPAC name of [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol (CID 82087529) is [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol?
The canonical SMILES for [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol is CC(C)c1cc(CO)nn1-c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol?
The InChIKey is XMPLIMHAYUSUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9(2)13-7-10(8-17)15-16(13)12-6-4-3-5-11(12)14/h3-7,9,17H,8H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol?
[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol has a molecular weight of 250.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol is sourced from PubChem (CID 82087529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).