N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C12H14F2N6O — CID 126824982

IUPACN-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2nnc(C3CC3)n2C)c1C(F)F
InChIInChI=1S/C12H14F2N6O/c1-19-10(6-3-4-6)17-18-12(19)16-11(21)7-5-15-20(2)8(7)9(13)14/h5-6,9H,3-4H2,1-2H3,(H,16,18,21)
InChIKeyONIVAABSYJYQQS-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.62
Rot. Bonds4

About N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 126824982) has the molecular formula C12H14F2N6O and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID126824982
Molecular FormulaC12H14F2N6O
Molecular Weight296.28 g/mol
Exact Mass296.12
IUPAC NameN-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2nnc(C3CC3)n2C)c1C(F)F
InChIInChI=1S/C12H14F2N6O/c1-19-10(6-3-4-6)17-18-12(19)16-11(21)7-5-15-20(2)8(7)9(13)14/h5-6,9H,3-4H2,1-2H3,(H,16,18,21)
InChIKeyONIVAABSYJYQQS-UHFFFAOYSA-N
XLogP1.62
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 126824982) is N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2nnc(C3CC3)n2C)c1C(F)F.
What is the InChIKey of N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ONIVAABSYJYQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N6O/c1-19-10(6-3-4-6)17-18-12(19)16-11(21)7-5-15-20(2)8(7)9(13)14/h5-6,9H,3-4H2,1-2H3,(H,16,18,21).
What are the key properties of N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 126824982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).