5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H17F3N6O — CID 19440882

IUPAC5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H17F3N6O/c1-24(8-10-7-21-25(2)9-10)16(27)13-6-15-22-12(11-3-4-11)5-14(17(18,19)20)26(15)23-13/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyDWCCHRAXAKYICR-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.63
Rot. Bonds4

About 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19440882) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19440882
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H17F3N6O/c1-24(8-10-7-21-25(2)9-10)16(27)13-6-15-22-12(11-3-4-11)5-14(17(18,19)20)26(15)23-13/h5-7,9,11H,3-4,8H2,1-2H3
InChIKeyDWCCHRAXAKYICR-UHFFFAOYSA-N
XLogP2.63
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441060
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19450114
5-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19290645
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 110223040
methyl 2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19447457
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19296464
N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440913
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440917
5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447499
5-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19394331
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441460
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441333

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19440882) is 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DWCCHRAXAKYICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-24(8-10-7-21-25(2)9-10)16(27)13-6-15-22-12(11-3-4-11)5-14(17(18,19)20)26(15)23-13/h5-7,9,11H,3-4,8H2,1-2H3.
What are the key properties of 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19440882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).