(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol

C13H14ClFN2O — CID 63975297

IUPAC(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H14ClFN2O/c1-2-7-17-12(5-6-16-17)13(18)10-4-3-9(14)8-11(10)15/h3-6,8,13,18H,2,7H2,1H3
InChIKeyIIKJTKGITPFIPU-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.17
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol

(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 63975297) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
PubChem CID63975297
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H14ClFN2O/c1-2-7-17-12(5-6-16-17)13(18)10-4-3-9(14)8-11(10)15/h3-6,8,13,18H,2,7H2,1H3
InChIKeyIIKJTKGITPFIPU-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

(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 66156283
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105119892
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397
(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 114885789
(3-ethyl-6-methylpyridazin-4-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098012

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol (CID 63975297) is (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is IIKJTKGITPFIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-2-7-17-12(5-6-16-17)13(18)10-4-3-9(14)8-11(10)15/h3-6,8,13,18H,2,7H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-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 (4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 63975297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).