2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol

C12H13F3N4O — CID 178058442

IUPAC2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(C(C)(C)O)nc1
InChIInChI=1S/C12H13F3N4O/c1-11(2,20)10-16-5-7(6-17-10)8-4-9(12(13,14)15)18-19(8)3/h4-6,20H,1-3H3
InChIKeyVWIGJPJGGNWXAG-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.12
Rot. Bonds2

About 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol

2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol (PubChem CID 178058442) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol
PubChem CID178058442
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(C(C)(C)O)nc1
InChIInChI=1S/C12H13F3N4O/c1-11(2,20)10-16-5-7(6-17-10)8-4-9(12(13,14)15)18-19(8)3/h4-6,20H,1-3H3
InChIKeyVWIGJPJGGNWXAG-UHFFFAOYSA-N
XLogP2.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
CID 71086589
ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 178058226
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole
CID 91271091
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
CID 91338292
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one
CID 137183406
N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487388
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine
CID 166275105
(2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide
CID 178139410
1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 162651648
5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 155293864

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol (CID 178058442) is 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol is Cn1nc(C(F)(F)F)cc1-c1cnc(C(C)(C)O)nc1.
What is the InChIKey of 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is VWIGJPJGGNWXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-11(2,20)10-16-5-7(6-17-10)8-4-9(12(13,14)15)18-19(8)3/h4-6,20H,1-3H3.
What are the key properties of 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol?
2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 286.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 178058442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).