5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18F2N4O — CID 4051025

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1C
InChIInChI=1S/C19H18F2N4O/c1-10-3-6-13(7-11(10)2)23-19(26)14-9-22-25-16(17(20)21)8-15(12-4-5-12)24-18(14)25/h3,6-9,12,17H,4-5H2,1-2H3,(H,23,26)
InChIKeyYKLLFBFPZOBJCK-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.41
Rot. Bonds4

About 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4051025) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4051025
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1C
InChIInChI=1S/C19H18F2N4O/c1-10-3-6-13(7-11(10)2)23-19(26)14-9-22-25-16(17(20)21)8-15(12-4-5-12)24-18(14)25/h3,6-9,12,17H,4-5H2,1-2H3,(H,23,26)
InChIKeyYKLLFBFPZOBJCK-UHFFFAOYSA-N
XLogP4.41
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-(4-fluoro-3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020711
5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020431
N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768384
5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768985
5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4748611
ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
5-cyclopropyl-7-(difluoromethyl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4864752
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 1256831
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020541
N-(1-adamantylmethyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769268
6-cyclopropyl-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026278

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4051025) is 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1C.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YKLLFBFPZOBJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-10-3-6-13(7-11(10)2)23-19(26)14-9-22-25-16(17(20)21)8-15(12-4-5-12)24-18(14)25/h3,6-9,12,17H,4-5H2,1-2H3,(H,23,26).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4051025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).