5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H14F4N6O — CID 19332314

IUPAC5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H14F4N6O/c16-13(17)9-7-11(14(18)19)25-12(22-9)8-10(23-25)15(26)20-3-1-5-24-6-2-4-21-24/h2,4,6-8,13-14H,1,3,5H2,(H,20,26)
InChIKeyHRBPVCVZLSMABE-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.62
Rot. Bonds7

About 5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19332314) has the molecular formula C15H14F4N6O and a molecular weight of 370.31 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19332314
Molecular FormulaC15H14F4N6O
Molecular Weight370.31 g/mol
Exact Mass370.12
IUPAC Name5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H14F4N6O/c16-13(17)9-7-11(14(18)19)25-12(22-9)8-10(23-25)15(26)20-3-1-5-24-6-2-4-21-24/h2,4,6-8,13-14H,1,3,5H2,(H,20,26)
InChIKeyHRBPVCVZLSMABE-UHFFFAOYSA-N
XLogP2.62
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19282830
5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449552
5,7-bis(difluoromethyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19396277
5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462611
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535324
3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369939
5,7-bis(difluoromethyl)-N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447537
2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 19520507
5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449179
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19332314) is 5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCCn1cccn1)c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HRBPVCVZLSMABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N6O/c16-13(17)9-7-11(14(18)19)25-12(22-9)8-10(23-25)15(26)20-3-1-5-24-6-2-4-21-24/h2,4,6-8,13-14H,1,3,5H2,(H,20,26).
What are the key properties of 5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 370.31 g/mol, XLogP of 2.62, 7 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-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19332314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).