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

C15H15F3N6O — CID 19440913

IUPACN,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3ccn(C)n3)cc2n1
InChIInChI=1S/C15H15F3N6O/c1-9-6-12(15(16,17)18)24-13(19-9)7-11(21-24)14(25)22(2)8-10-4-5-23(3)20-10/h4-7H,8H2,1-3H3
InChIKeyRNQULJPFPLNCQO-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.06
Rot. Bonds3

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

N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19440913) has the molecular formula C15H15F3N6O and a molecular weight of 352.32 g/mol. Its IUPAC name is N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19440913
Molecular FormulaC15H15F3N6O
Molecular Weight352.32 g/mol
Exact Mass352.13
IUPAC NameN,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3ccn(C)n3)cc2n1
InChIInChI=1S/C15H15F3N6O/c1-9-6-12(15(16,17)18)24-13(19-9)7-11(21-24)14(25)22(2)8-10-4-5-23(3)20-10/h4-7H,8H2,1-3H3
InChIKeyRNQULJPFPLNCQO-UHFFFAOYSA-N
XLogP2.06
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-dimethyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77091738
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440917
7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441060
5-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19450000
5-cyclopropyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440882
N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441024
7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441267
5-(3,4-dimethylphenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458345
N-[(1-ethylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)-N-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19450001
ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate
CID 19278164
5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455941
5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449552

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19440913) is N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3ccn(C)n3)cc2n1.
What is the InChIKey of N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RNQULJPFPLNCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O/c1-9-6-12(15(16,17)18)24-13(19-9)7-11(21-24)14(25)22(2)8-10-4-5-23(3)20-10/h4-7H,8H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19440913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).