[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol

C12H12F3N3O — CID 163550661

IUPAC[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol
SMILESCc1cc(C(O)c2ccncc2)nn1CC(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-8-6-10(17-18(8)7-12(13,14)15)11(19)9-2-4-16-5-3-9/h2-6,11,19H,7H2,1H3
InChIKeyCZCMYEFWXUHHBP-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.23
Rot. Bonds3

About [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol

[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol (PubChem CID 163550661) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol.

Molecular Properties

Compound Name[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol
PubChem CID163550661
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol
SMILESCc1cc(C(O)c2ccncc2)nn1CC(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-8-6-10(17-18(8)7-12(13,14)15)11(19)9-2-4-16-5-3-9/h2-6,11,19H,7H2,1H3
InChIKeyCZCMYEFWXUHHBP-UHFFFAOYSA-N
XLogP2.23
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridin-2-Yl}methanol
CID 71710905
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-pyridin-4-yl-methanol
CID 10452933
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanol
CID 73293373
2-[5-[6-Amino-5-(trifluoromethyl)pyridin-3-yl]-2-propan-2-ylpyrazol-3-yl]propan-2-ol
CID 78318302
(3-(pyridin-4-yl)-1H-pyrazol-5-yl)methanol
CID 29922283
(1-Phenyl-3-pyridin-3-yl-1H-pyrazol-4-yl)-methanol
CID 740179
1-[1-[Methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol
CID 10656401
1-[1-[Methyl(pyridin-4-yl)amino]pyrrol-3-yl]ethanol
CID 10656402
Pyrazolo(1,5-a)pyridin-5-ylmethanol
CID 11073571
Pyrazolo[1,5-a]pyridin-4-ylmethanol
CID 11094777
Pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 14134319
6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-ol
CID 58126363

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol?
The IUPAC name of [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol (CID 163550661) is [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol.
What is the SMILES notation for [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol?
The canonical SMILES for [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol is Cc1cc(C(O)c2ccncc2)nn1CC(F)(F)F.
What is the InChIKey of [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol?
The InChIKey is CZCMYEFWXUHHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8-6-10(17-18(8)7-12(13,14)15)11(19)9-2-4-16-5-3-9/h2-6,11,19H,7H2,1H3.
What are the key properties of [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol?
[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol has a molecular weight of 271.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol is sourced from PubChem (CID 163550661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).