5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide

C15H22F2N6O — CID 75391143

IUPAC5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)Nc2nc(C(C)C)nn2C)c1C(F)F
InChIInChI=1S/C15H22F2N6O/c1-8(2)7-23-11(12(16)17)10(6-18-23)14(24)20-15-19-13(9(3)4)21-22(15)5/h6,8-9,12H,7H2,1-5H3,(H,19,20,21,24)
InChIKeyACENVEJDXCRVAO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds6

About 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide

5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 75391143) has the molecular formula C15H22F2N6O and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID75391143
Molecular FormulaC15H22F2N6O
Molecular Weight340.38 g/mol
Exact Mass340.18
IUPAC Name5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)Nc2nc(C(C)C)nn2C)c1C(F)F
InChIInChI=1S/C15H22F2N6O/c1-8(2)7-23-11(12(16)17)10(6-18-23)14(24)20-15-19-13(9(3)4)21-22(15)5/h6,8-9,12H,7H2,1-5H3,(H,19,20,21,24)
InChIKeyACENVEJDXCRVAO-UHFFFAOYSA-N
XLogP2.98
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 75391143) is 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)Cn1ncc(C(=O)Nc2nc(C(C)C)nn2C)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is ACENVEJDXCRVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N6O/c1-8(2)7-23-11(12(16)17)10(6-18-23)14(24)20-15-19-13(9(3)4)21-22(15)5/h6,8-9,12H,7H2,1-5H3,(H,19,20,21,24).
What are the key properties of 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75391143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).