1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol

C13H14ClFN2O — CID 102859553

IUPAC1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H14ClFN2O/c1-2-12(18)10-6-16-17(8-10)7-9-4-3-5-11(14)13(9)15/h3-6,8,12,18H,2,7H2,1H3
InChIKeyJSHFGMRQQFMIFX-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.17
Rot. Bonds4

About 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol

1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol (PubChem CID 102859553) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
PubChem CID102859553
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H14ClFN2O/c1-2-12(18)10-6-16-17(8-10)7-9-4-3-5-11(14)13(9)15/h3-6,8,12,18H,2,7H2,1H3
InChIKeyJSHFGMRQQFMIFX-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

Analyze 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol 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

1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 65318492
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 103041267
1-[(2-chloro-3-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 112654315
(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 63895060
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 102859471
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729801
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 82789190
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
1-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229491
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64771770

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol (CID 102859553) is 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(Cc2cccc(Cl)c2F)c1.
What is the InChIKey of 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is JSHFGMRQQFMIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-2-12(18)10-6-16-17(8-10)7-9-4-3-5-11(14)13(9)15/h3-6,8,12,18H,2,7H2,1H3.
What are the key properties of 1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
1-[1-[(3-chloro-2-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-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 102859553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).