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

C17H17F4N7O2 — CID 19396277

IUPAC5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cnn1C
InChIInChI=1S/C17H17F4N7O2/c1-3-4-22-17(30)13-10(7-23-27(13)2)25-16(29)9-6-12-24-8(14(18)19)5-11(15(20)21)28(12)26-9/h5-7,14-15H,3-4H2,1-2H3,(H,22,30)(H,25,29)
InChIKeyMBEUXAVPIWXFAK-UHFFFAOYSA-N
MW427.36 g/mol
LogP2.73
Rot. Bonds7

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

5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19396277) has the molecular formula C17H17F4N7O2 and a molecular weight of 427.36 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19396277
Molecular FormulaC17H17F4N7O2
Molecular Weight427.36 g/mol
Exact Mass427.14
IUPAC Name5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cnn1C
InChIInChI=1S/C17H17F4N7O2/c1-3-4-22-17(30)13-10(7-23-27(13)2)25-16(29)9-6-12-24-8(14(18)19)5-11(15(20)21)28(12)26-9/h5-7,14-15H,3-4H2,1-2H3,(H,22,30)(H,25,29)
InChIKeyMBEUXAVPIWXFAK-UHFFFAOYSA-N
XLogP2.73
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19332314
N-[2-(4-bromopyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19282830
5,7-bis(difluoromethyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449260
5-cyclopropyl-7-(difluoromethyl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455693
5,7-bis(difluoromethyl)-N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447537
5-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29097243
N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449184
5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449179
5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449185
4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396369
4-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396289
2-[5-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487704

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19396277) is 5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCCNC(=O)c1c(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cnn1C.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MBEUXAVPIWXFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N7O2/c1-3-4-22-17(30)13-10(7-23-27(13)2)25-16(29)9-6-12-24-8(14(18)19)5-11(15(20)21)28(12)26-9/h5-7,14-15H,3-4H2,1-2H3,(H,22,30)(H,25,29).
What are the key properties of 5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 427.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19396277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).