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

C19H15F4N7O — CID 19449195

IUPAC5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3cc4nc(C(F)F)cc(C(F)F)n4n3)n2)c1
InChIInChI=1S/C19H15F4N7O/c1-10-3-2-4-11(5-10)8-29-9-24-19(28-29)26-18(31)13-7-15-25-12(16(20)21)6-14(17(22)23)30(15)27-13/h2-7,9,16-17H,8H2,1H3,(H,26,28,31)
InChIKeyQAFAGRPLEKLVSU-UHFFFAOYSA-N
MW433.37 g/mol
LogP3.81
Rot. Bonds6

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

5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449195) has the molecular formula C19H15F4N7O and a molecular weight of 433.37 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449195
Molecular FormulaC19H15F4N7O
Molecular Weight433.37 g/mol
Exact Mass433.13
IUPAC Name5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3cc4nc(C(F)F)cc(C(F)F)n4n3)n2)c1
InChIInChI=1S/C19H15F4N7O/c1-10-3-2-4-11(5-10)8-29-9-24-19(28-29)26-18(31)13-7-15-25-12(16(20)21)6-14(17(22)23)30(15)27-13/h2-7,9,16-17H,8H2,1H3,(H,26,28,31)
InChIKeyQAFAGRPLEKLVSU-UHFFFAOYSA-N
XLogP3.81
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455610
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19468085
5,7-bis(difluoromethyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19404889
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19401146
2-[4-[[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504686
5-tert-butyl-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466368
3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19510109
N-(1-benzyl-1,2,4-triazol-3-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447477
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19413883
5,7-bis(difluoromethyl)-N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447537
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449221
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276004

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449195) is 5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3cc4nc(C(F)F)cc(C(F)F)n4n3)n2)c1.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QAFAGRPLEKLVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N7O/c1-10-3-2-4-11(5-10)8-29-9-24-19(28-29)26-18(31)13-7-15-25-12(16(20)21)6-14(17(22)23)30(15)27-13/h2-7,9,16-17H,8H2,1H3,(H,26,28,31).
What are the key properties of 5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 433.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).