[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid

C15H11F3N4O2 — CID 123391936

IUPAC[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid
SMILESCc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1NC(=O)O
InChIInChI=1S/C15H11F3N4O2/c1-8-12(20-14(23)24)13-19-11(6-7-22(13)21-8)9-4-2-3-5-10(9)15(16,17)18/h2-7,20H,1H3,(H,23,24)
InChIKeyGSNCHVGLVDHXQR-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.81
Rot. Bonds2

About [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid

[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid (PubChem CID 123391936) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid
PubChem CID123391936
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid
SMILESCc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1NC(=O)O
InChIInChI=1S/C15H11F3N4O2/c1-8-12(20-14(23)24)13-19-11(6-7-22(13)21-8)9-4-2-3-5-10(9)15(16,17)18/h2-7,20H,1H3,(H,23,24)
InChIKeyGSNCHVGLVDHXQR-UHFFFAOYSA-N
XLogP3.81
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid
CID 69312353
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
N-(3,5-difluoro-2-pyridinyl)-2-methyl-1-[2-methyl-6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrimidin-4-yl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123848957
methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82567017
ethyl 2-chloroimidazo[1,5-a]pyrimidine-8-carboxylate;ethyl 2-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxylate
CID 158037797
2,8-dimethyl-N-prop-1-en-2-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144734827
2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 107646639
2,5-dimethyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4974601
1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 35283624
N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
CID 46996351
1,3-dimethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167858874

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid?
The IUPAC name of [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid (CID 123391936) is [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid.
What is the SMILES notation for [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid?
The canonical SMILES for [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid is Cc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1NC(=O)O.
What is the InChIKey of [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid?
The InChIKey is GSNCHVGLVDHXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-8-12(20-14(23)24)13-19-11(6-7-22(13)21-8)9-4-2-3-5-10(9)15(16,17)18/h2-7,20H,1H3,(H,23,24).
What are the key properties of [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid?
[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid has a molecular weight of 336.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid is sourced from PubChem (CID 123391936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).