1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide

C16H14N6O2 — CID 29097607

IUPAC1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
SMILESCn1cc(C(=O)Nc2ccccn2)c(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H14N6O2/c1-22-10-11(15(23)19-12-6-2-4-8-17-12)14(21-22)16(24)20-13-7-3-5-9-18-13/h2-10H,1H3,(H,17,19,23)(H,18,20,24)
InChIKeyNBOGCYIGOPQZOL-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide

1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide (PubChem CID 29097607) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
PubChem CID29097607
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
SMILESCn1cc(C(=O)Nc2ccccn2)c(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H14N6O2/c1-22-10-11(15(23)19-12-6-2-4-8-17-12)14(21-22)16(24)20-13-7-3-5-9-18-13/h2-10H,1H3,(H,17,19,23)(H,18,20,24)
InChIKeyNBOGCYIGOPQZOL-UHFFFAOYSA-N
XLogP1.71
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-yl)-1-methyl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 167936800
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide
CID 832033
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097609
4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide
CID 19577614
1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
6-tert-butyl-1-methyl-2-oxo-N-pyridin-2-ylpyridine-3-carboxamide
CID 166717694
1,3,6-trimethyl-N-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36998675

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide?
The IUPAC name of 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide (CID 29097607) is 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide.
What is the SMILES notation for 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide?
The canonical SMILES for 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide is Cn1cc(C(=O)Nc2ccccn2)c(C(=O)Nc2ccccn2)n1.
What is the InChIKey of 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide?
The InChIKey is NBOGCYIGOPQZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-22-10-11(15(23)19-12-6-2-4-8-17-12)14(21-22)16(24)20-13-7-3-5-9-18-13/h2-10H,1H3,(H,17,19,23)(H,18,20,24).
What are the key properties of 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide?
1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide has a molecular weight of 322.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide is sourced from PubChem (CID 29097607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).