1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol

C13H14ClFN2O — CID 103041267

IUPAC1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H14ClFN2O/c1-2-13(18)10-6-16-17(8-10)7-9-3-4-12(15)11(14)5-9/h3-6,8,13,18H,2,7H2,1H3
InChIKeyYFFSYMLWWWPBFC-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.17
Rot. Bonds4

About 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol

1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol (PubChem CID 103041267) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
PubChem CID103041267
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H14ClFN2O/c1-2-13(18)10-6-16-17(8-10)7-9-3-4-12(15)11(14)5-9/h3-6,8,13,18H,2,7H2,1H3
InChIKeyYFFSYMLWWWPBFC-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 65318492
1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 102859553
1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 55109177
1-[1-[(3-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730081
1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105638
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-yl]ethanone
CID 107886857
1-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]methanesulfonamide
CID 75389786
1-(3-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 55181977
2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572619
2-fluoro-5-[(4-propan-2-ylpyrazol-1-yl)methyl]benzonitrile
CID 168900803
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol (CID 103041267) is 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(Cc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is YFFSYMLWWWPBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-2-13(18)10-6-16-17(8-10)7-9-3-4-12(15)11(14)5-9/h3-6,8,13,18H,2,7H2,1H3.
What are the key properties of 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol has a molecular weight of 268.72 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 103041267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).