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

C17H17F3N4O — CID 4259373

IUPAC5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC#CC(C)(CC)NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H17F3N4O/c1-4-16(3,5-2)22-15(25)12-9-14-21-11(10-6-7-10)8-13(17(18,19)20)24(14)23-12/h1,8-10H,5-7H2,2-3H3,(H,22,25)
InChIKeyFKFCWFJQXZJUTE-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.16
Rot. Bonds4

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

5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4259373) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4259373
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC#CC(C)(CC)NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H17F3N4O/c1-4-16(3,5-2)22-15(25)12-9-14-21-11(10-6-7-10)8-13(17(18,19)20)24(14)23-12/h1,8-10H,5-7H2,2-3H3,(H,22,25)
InChIKeyFKFCWFJQXZJUTE-UHFFFAOYSA-N
XLogP3.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

(5-Cyclopropyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-piperidin-1-yl)-methanone
CID 1164878
5-Cyclopropyl-7-(difluoromethyl)-2-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2235220
N-allyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2243233
5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 842867
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 671633
5-Cyclopropyl-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2982275
2-Tert-butyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 49830970
N-tert-butyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1100831
5-cyclopropyl-N-(tetrahydro-2-furanylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982069
5-cyclopropyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2237385
5-Cyclopropyl-2-{2-methyl-5H,6H,8H-[1,2,4]triazolo[1,5-A]pyrazine-7-carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine
CID 92420995
7-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carbonyl]-3H,5H,6H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 135674323

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4259373) is 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is C#CC(C)(CC)NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FKFCWFJQXZJUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-4-16(3,5-2)22-15(25)12-9-14-21-11(10-6-7-10)8-13(17(18,19)20)24(14)23-12/h1,8-10H,5-7H2,2-3H3,(H,22,25).
What are the key properties of 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4259373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).