3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H16ClF3N6O — CID 19440940

IUPAC3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3cn(C)nc3C)c(Cl)c2n1
InChIInChI=1S/C16H16ClF3N6O/c1-8-5-11(16(18,19)20)26-14(21-8)12(17)13(23-26)15(27)24(3)6-10-7-25(4)22-9(10)2/h5,7H,6H2,1-4H3
InChIKeyIXIHDUMFMKOBLB-UHFFFAOYSA-N
MW400.79 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19440940) has the molecular formula C16H16ClF3N6O and a molecular weight of 400.79 g/mol. Its IUPAC name is 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19440940
Molecular FormulaC16H16ClF3N6O
Molecular Weight400.79 g/mol
Exact Mass400.10
IUPAC Name3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3cn(C)nc3C)c(Cl)c2n1
InChIInChI=1S/C16H16ClF3N6O/c1-8-5-11(16(18,19)20)26-14(21-8)12(17)13(23-26)15(27)24(3)6-10-7-25(4)22-9(10)2/h5,7H,6H2,1-4H3
InChIKeyIXIHDUMFMKOBLB-UHFFFAOYSA-N
XLogP3.02
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.79
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(4-cyano-2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256253
3-Chloro-2-[(2-ethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2982117
[5-(1-Methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 135300268
5-(4-chlorophenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 993657
(1,3-dimethyl-1H-pyrazol-5-yl)(2-methyl-8,9-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)methanone
CID 90628380
3-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5253569
2-[(3-Chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 50985566
3-Chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-isopropyl-6-methylpyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 77086511
5-Methyl-2-{2-methyl-5H,6H,8H-[1,2,4]triazolo[1,5-A]pyrazine-7-carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine
CID 92443309
5-Methyl-2-{5H,6H,8H-[1,2,4]triazolo[1,5-A]pyrazine-7-carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine
CID 92443310
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
CID 99928205
3-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 993993

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19440940) is 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3cn(C)nc3C)c(Cl)c2n1.
What is the InChIKey of 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IXIHDUMFMKOBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N6O/c1-8-5-11(16(18,19)20)26-14(21-8)12(17)13(23-26)15(27)24(3)6-10-7-25(4)22-9(10)2/h5,7H,6H2,1-4H3.
What are the key properties of 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 400.79 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19440940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).