1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide

C19H17N7O — CID 165368565

IUPAC1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide
SMILESCn1cc(-c2ccncc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C19H17N7O/c1-25-12-14(13-6-9-20-10-7-13)18(24-25)19(27)22-17-11-16(23-26(17)2)15-5-3-4-8-21-15/h3-12H,1-2H3,(H,22,27)
InChIKeyIRYCZIMTDZEPJM-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.53
Rot. Bonds4

About 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide

1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 165368565) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID165368565
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide
SMILESCn1cc(-c2ccncc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C19H17N7O/c1-25-12-14(13-6-9-20-10-7-13)18(24-25)19(27)22-17-11-16(23-26(17)2)15-5-3-4-8-21-15/h3-12H,1-2H3,(H,22,27)
InChIKeyIRYCZIMTDZEPJM-UHFFFAOYSA-N
XLogP2.53
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide (CID 165368565) is 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide is Cn1cc(-c2ccncc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1.
What is the InChIKey of 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is IRYCZIMTDZEPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-25-12-14(13-6-9-20-10-7-13)18(24-25)19(27)22-17-11-16(23-26(17)2)15-5-3-4-8-21-15/h3-12H,1-2H3,(H,22,27).
What are the key properties of 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide?
1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 165368565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).