3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C10H8ClF3N4O — CID 77093626

IUPAC3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCC(F)(F)F)nn2c1
InChIInChI=1S/C10H8ClF3N4O/c1-5-2-15-8-6(11)7(17-18(8)3-5)9(19)16-4-10(12,13)14/h2-3H,4H2,1H3,(H,16,19)
InChIKeyCZZCDEYVHYJSHV-UHFFFAOYSA-N
MW292.65 g/mol
LogP1.98
Rot. Bonds2

About 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 77093626) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID77093626
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCC(F)(F)F)nn2c1
InChIInChI=1S/C10H8ClF3N4O/c1-5-2-15-8-6(11)7(17-18(8)3-5)9(19)16-4-10(12,13)14/h2-3H,4H2,1H3,(H,16,19)
InChIKeyCZZCDEYVHYJSHV-UHFFFAOYSA-N
XLogP1.98
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094293
3,6-dibromo-N-butylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094294
3-chloro-N-(4-cyano-2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256253
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
3,6-dibromo-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733312
3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2980781
6-Amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 118732279
2-[(3-Chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 50985566
3-chloro-6-methyl-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77094996
(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95137677
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
CID 99928205
3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 77093626) is 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2c(Cl)c(C(=O)NCC(F)(F)F)nn2c1.
What is the InChIKey of 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CZZCDEYVHYJSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c1-5-2-15-8-6(11)7(17-18(8)3-5)9(19)16-4-10(12,13)14/h2-3H,4H2,1H3,(H,16,19).
What are the key properties of 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 292.65 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 77093626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).