1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

C15H17N7O — CID 146381322

IUPAC1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C15H17N7O/c1-10(2)22-9-16-20-14(22)12-5-4-6-13(18-12)19-15(23)11-7-17-21(3)8-11/h4-10H,1-3H3,(H,18,19,23)
InChIKeyRTLJSJQFOKJTGO-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.91
Rot. Bonds4

About 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381322) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381322
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C15H17N7O/c1-10(2)22-9-16-20-14(22)12-5-4-6-13(18-12)19-15(23)11-7-17-21(3)8-11/h4-10H,1-3H3,(H,18,19,23)
InChIKeyRTLJSJQFOKJTGO-UHFFFAOYSA-N
XLogP1.91
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 146381322) is 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cnn(C)c2)n1.
What is the InChIKey of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is RTLJSJQFOKJTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10(2)22-9-16-20-14(22)12-5-4-6-13(18-12)19-15(23)11-7-17-21(3)8-11/h4-10H,1-3H3,(H,18,19,23).
What are the key properties of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).