N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H13F3N4O — CID 166260321

IUPACN-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)10-5-6-17-11-7-9(19-20(10)11)12(21)18-8-3-1-2-4-8/h5-8H,1-4H2,(H,18,21)
InChIKeyUTTCODRZAXKJTQ-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.42
Rot. Bonds2

About N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 166260321) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID166260321
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)10-5-6-17-11-7-9(19-20(10)11)12(21)18-8-3-1-2-4-8/h5-8H,1-4H2,(H,18,21)
InChIKeyUTTCODRZAXKJTQ-UHFFFAOYSA-N
XLogP2.42
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166262697
7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 19620200
7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045909
N-cyclohexyl-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468763
7-[chloro(difluoro)methyl]-N-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19457963
5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466393
7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 84721401
4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 167400752
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
N-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014510

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 166260321) is N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCCC1)c1cc2nccc(C(F)(F)F)n2n1.
What is the InChIKey of N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UTTCODRZAXKJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)10-5-6-17-11-7-9(19-20(10)11)12(21)18-8-3-1-2-4-8/h5-8H,1-4H2,(H,18,21).
What are the key properties of N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166260321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).