5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H14F4N6O — CID 19288469

IUPAC5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H14F4N6O/c1-7-8(6-24(2)22-7)5-20-15(26)10-4-12-21-9(13(16)17)3-11(14(18)19)25(12)23-10/h3-4,6,13-14H,5H2,1-2H3,(H,20,26)
InChIKeyCAHKDQKERMTHOA-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.58
Rot. Bonds5

About 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19288469) has the molecular formula C15H14F4N6O and a molecular weight of 370.31 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19288469
Molecular FormulaC15H14F4N6O
Molecular Weight370.31 g/mol
Exact Mass370.12
IUPAC Name5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H14F4N6O/c1-7-8(6-24(2)22-7)5-20-15(26)10-4-12-21-9(13(16)17)3-11(14(18)19)25(12)23-10/h3-4,6,13-14H,5H2,1-2H3,(H,20,26)
InChIKeyCAHKDQKERMTHOA-UHFFFAOYSA-N
XLogP2.58
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-isobutyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821351
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(3-aminopropyl)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181592
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide
CID 165414964
US10155765, Example 3
CID 122540794
US10233189, Example 13
CID 132247190
N-methyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821149
1-Ethyl-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]piperidin-4-YL}-1H-pyrazole-3-carboxamide
CID 83273766
1-methyl-N-[9-(2,2,2-trifluoroethyl)purin-8-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 172452734
N-({5-[(dimethylamino)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 72909353

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19288469) is 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(C)cc1CNC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CAHKDQKERMTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N6O/c1-7-8(6-24(2)22-7)5-20-15(26)10-4-12-21-9(13(16)17)3-11(14(18)19)25(12)23-10/h3-4,6,13-14H,5H2,1-2H3,(H,20,26).
What are the key properties of 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 370.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19288469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).