N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide

C13H12N6O — CID 146088918

IUPACN-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(-n3cccn3)n2)n[nH]1
InChIInChI=1S/C13H12N6O/c1-9-8-11(18-17-9)16-13(20)10-4-2-5-12(15-10)19-7-3-6-14-19/h2-8H,1H3,(H2,16,17,18,20)
InChIKeyHTXSSHBUDNHRNR-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.55
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 146088918) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID146088918
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(-n3cccn3)n2)n[nH]1
InChIInChI=1S/C13H12N6O/c1-9-8-11(18-17-9)16-13(20)10-4-2-5-12(15-10)19-7-3-6-14-19/h2-8H,1H3,(H2,16,17,18,20)
InChIKeyHTXSSHBUDNHRNR-UHFFFAOYSA-N
XLogP1.55
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide (CID 146088918) is N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1cc(NC(=O)c2cccc(-n3cccn3)n2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is HTXSSHBUDNHRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-9-8-11(18-17-9)16-13(20)10-4-2-5-12(15-10)19-7-3-6-14-19/h2-8H,1H3,(H2,16,17,18,20).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 146088918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).