(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol

C13H14ClFN2O — CID 63895060

IUPAC(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C13H14ClFN2O/c1-2-6-17-8-9(7-16-17)13(18)12-10(14)4-3-5-11(12)15/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyDTSOSJLVIAVCFA-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.17
Rot. Bonds4

About (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol

(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 63895060) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
PubChem CID63895060
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C13H14ClFN2O/c1-2-6-17-8-9(7-16-17)13(18)12-10(14)4-3-5-11(12)15/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyDTSOSJLVIAVCFA-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 (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-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

N-[(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808190
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 81436029
(3-bromo-4-chlorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 115566276
2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572619
(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 82819469
(1-propylpyrazol-4-yl)-quinoxalin-2-ylmethanol
CID 107357558
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol
CID 106971722
(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114981635
1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 102859553
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol (CID 63895060) is (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2c(F)cccc2Cl)cn1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is DTSOSJLVIAVCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-2-6-17-8-9(7-16-17)13(18)12-10(14)4-3-5-11(12)15/h3-5,7-8,13,18H,2,6H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol?
(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol 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 (2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 63895060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).