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

C18H21F3N6O — CID 46970565

IUPAC5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCC(C)n3nc(C)c(C)c3C)cc2n1
InChIInChI=1S/C18H21F3N6O/c1-9-6-15(18(19,20)21)27-16(23-9)7-14(25-27)17(28)22-8-10(2)26-13(5)11(3)12(4)24-26/h6-7,10H,8H2,1-5H3,(H,22,28)
InChIKeyHCESESOBDNGGOA-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.17
Rot. Bonds4

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

5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46970565) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is 5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46970565
Molecular FormulaC18H21F3N6O
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC Name5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCC(C)n3nc(C)c(C)c3C)cc2n1
InChIInChI=1S/C18H21F3N6O/c1-9-6-15(18(19,20)21)27-16(23-9)7-14(25-27)17(28)22-8-10(2)26-13(5)11(3)12(4)24-26/h6-7,10H,8H2,1-5H3,(H,22,28)
InChIKeyHCESESOBDNGGOA-UHFFFAOYSA-N
XLogP3.17
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449415
5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449552
5-methyl-N-(2-piperidin-1-ylsulfonylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46968419
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455773
N-butyl-7-[chloro(difluoro)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19459795
(5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-N-[(2S)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135963787
N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449280
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449275
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19288556
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449547
N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449408
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449564

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 46970565) is 5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)NCC(C)n3nc(C)c(C)c3C)cc2n1.
What is the InChIKey of 5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HCESESOBDNGGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O/c1-9-6-15(18(19,20)21)27-16(23-9)7-14(25-27)17(28)22-8-10(2)26-13(5)11(3)12(4)24-26/h6-7,10H,8H2,1-5H3,(H,22,28).
What are the key properties of 5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46970565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).