1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C13H15ClN2O — CID 103005996

IUPAC1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O/c1-16-12(8-9-15-16)6-7-13(17)10-2-4-11(14)5-3-10/h2-5,8-9,13,17H,6-7H2,1H3
InChIKeyMSFJPRVEWHBVEC-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.74
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103005996) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103005996
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O/c1-16-12(8-9-15-16)6-7-13(17)10-2-4-11(14)5-3-10/h2-5,8-9,13,17H,6-7H2,1H3
InChIKeyMSFJPRVEWHBVEC-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol
CID 103028007
1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103027979
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006837
5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole
CID 103018288
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006160
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103005996) is 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1CCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is MSFJPRVEWHBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-16-12(8-9-15-16)6-7-13(17)10-2-4-11(14)5-3-10/h2-5,8-9,13,17H,6-7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 250.73 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103005996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).