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

C21H17F3N6O — CID 2237385

IUPAC5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)n(-c2ccccc2)n1
InChIInChI=1S/C21H17F3N6O/c1-12-9-18(29(27-12)14-5-3-2-4-6-14)26-20(31)16-11-19-25-15(13-7-8-13)10-17(21(22,23)24)30(19)28-16/h2-6,9-11,13H,7-8H2,1H3,(H,26,31)
InChIKeyUNHSDPGWGTVBAS-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.37
Rot. Bonds4

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

5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2237385) has the molecular formula C21H17F3N6O and a molecular weight of 426.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2237385
Molecular FormulaC21H17F3N6O
Molecular Weight426.40 g/mol
Exact Mass426.14
IUPAC Name5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)n(-c2ccccc2)n1
InChIInChI=1S/C21H17F3N6O/c1-12-9-18(29(27-12)14-5-3-2-4-6-14)26-20(31)16-11-19-25-15(13-7-8-13)10-17(21(22,23)24)30(19)28-16/h2-6,9-11,13H,7-8H2,1H3,(H,26,31)
InChIKeyUNHSDPGWGTVBAS-UHFFFAOYSA-N
XLogP4.37
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
3-bromo-N-butyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1921960
hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 5207625
5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4259373
5-phenyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1924550
5-cyclopropyl-N-3-pyridinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1258926
5-cyclopropyl-N-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3200320
N-cyclopentyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1050347
hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 5062040
5-(4-Fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 659679
N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 755316
5,7-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 974413

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2237385) is 5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)n(-c2ccccc2)n1.
What is the InChIKey of 5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UNHSDPGWGTVBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O/c1-12-9-18(29(27-12)14-5-3-2-4-6-14)26-20(31)16-11-19-25-15(13-7-8-13)10-17(21(22,23)24)30(19)28-16/h2-6,9-11,13H,7-8H2,1H3,(H,26,31).
What are the key properties of 5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2237385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).