[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol

C12H12F2N2O — CID 115527836

IUPAC[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C12H12F2N2O/c1-16-10(5-6-15-16)11(17)8-3-2-4-9(7-8)12(13)14/h2-7,11-12,17H,1H3
InChIKeyRKPDGAAOTWCBPH-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.44
Rot. Bonds3

About [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol

[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol (PubChem CID 115527836) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
PubChem CID115527836
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C12H12F2N2O/c1-16-10(5-6-15-16)11(17)8-3-2-4-9(7-8)12(13)14/h2-7,11-12,17H,1H3
InChIKeyRKPDGAAOTWCBPH-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960732
(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960937
furan-3-yl-(2-methylpyrazol-3-yl)methanol
CID 63960730
(4-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 11550333
1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol
CID 115799051
(2-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63961352
(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63962198
(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63963696
(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 115799135
(2-ethylpyrazol-3-yl)-(3-fluorophenyl)methanol
CID 63975475
[3-(difluoromethyl)phenyl]methanediol
CID 162564421
(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol (CID 115527836) is [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1cccc(C(F)F)c1.
What is the InChIKey of [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol?
The InChIKey is RKPDGAAOTWCBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-16-10(5-6-15-16)11(17)8-3-2-4-9(7-8)12(13)14/h2-7,11-12,17H,1H3.
What are the key properties of [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol?
[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol has a molecular weight of 238.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 115527836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).