[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol

C12H14F3N3O — CID 151270589

IUPAC[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol
SMILESOCC1(c2ccnn2CCC(F)(F)F)C=CC=CN1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)5-8-18-10(3-7-17-18)11(9-19)4-1-2-6-16-11/h1-4,6-7,16,19H,5,8-9H2
InChIKeyNWGVCTHVCSQOOT-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.70
Rot. Bonds4

About [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol

[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol (PubChem CID 151270589) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol
PubChem CID151270589
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol
SMILESOCC1(c2ccnn2CCC(F)(F)F)C=CC=CN1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)5-8-18-10(3-7-17-18)11(9-19)4-1-2-6-16-11/h1-4,6-7,16,19H,5,8-9H2
InChIKeyNWGVCTHVCSQOOT-UHFFFAOYSA-N
XLogP1.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-yl}methanol dihydrochloride
CID 146152711
2-Amino-2-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 82418079
(R)-2-Amino-2-(1-(difluoromethyl)-1H-pyrazol-3-yl)ethan-1-ol
CID 166164109
2-Amino-2-[1-(difluoromethyl)pyrazol-3-yl]ethanol
CID 175530504
2-Amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol
CID 83884239
2-Amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol
CID 84654620
1,1,1-Trifluoro-3-[2-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 103005981
N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215290
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215294
N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103215296
1-(2-Ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215297
N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103215303

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol?
The IUPAC name of [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol (CID 151270589) is [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol.
What is the SMILES notation for [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol?
The canonical SMILES for [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol is OCC1(c2ccnn2CCC(F)(F)F)C=CC=CN1.
What is the InChIKey of [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol?
The InChIKey is NWGVCTHVCSQOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)5-8-18-10(3-7-17-18)11(9-19)4-1-2-6-16-11/h1-4,6-7,16,19H,5,8-9H2.
What are the key properties of [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol?
[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol has a molecular weight of 273.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol is sourced from PubChem (CID 151270589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).