1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol

C13H15FN2O — CID 103130348

IUPAC1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCn1ccc(C(C)(O)Cc2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2O/c1-13(17,12-6-7-16(2)15-12)9-10-4-3-5-11(14)8-10/h3-8,17H,9H2,1-2H3
InChIKeyRKQHONNDUHPGPV-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.01
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol

1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol (PubChem CID 103130348) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol
PubChem CID103130348
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol
SMILESCn1ccc(C(C)(O)Cc2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2O/c1-13(17,12-6-7-16(2)15-12)9-10-4-3-5-11(14)8-10/h3-8,17H,9H2,1-2H3
InChIKeyRKQHONNDUHPGPV-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 114834047
2-(3-fluorophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 82868856
1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol
CID 114833392
2-(5-fluoro-2-methylphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833350
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833403
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol (CID 103130348) is 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol is Cn1ccc(C(C)(O)Cc2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol?
The InChIKey is RKQHONNDUHPGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-13(17,12-6-7-16(2)15-12)9-10-4-3-5-11(14)8-10/h3-8,17H,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol?
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol has a molecular weight of 234.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 103130348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).