5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide

C19H18N6O — CID 23143800

IUPAC5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccc(C#N)cn2)n(-c2ccc(C)nc2)n1
InChIInChI=1S/C19H18N6O/c1-4-24(3)19(26)17-9-18(16-8-6-14(10-20)11-22-16)25(23-17)15-7-5-13(2)21-12-15/h5-9,11-12H,4H2,1-3H3
InChIKeyUHRUBCDQJKYPNP-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.60
Rot. Bonds4

About 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide

5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 23143800) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID23143800
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccc(C#N)cn2)n(-c2ccc(C)nc2)n1
InChIInChI=1S/C19H18N6O/c1-4-24(3)19(26)17-9-18(16-8-6-14(10-20)11-22-16)25(23-17)15-7-5-13(2)21-12-15/h5-9,11-12H,4H2,1-3H3
InChIKeyUHRUBCDQJKYPNP-UHFFFAOYSA-N
XLogP2.60
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide (CID 23143800) is 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide is CCN(C)C(=O)c1cc(-c2ccc(C#N)cn2)n(-c2ccc(C)nc2)n1.
What is the InChIKey of 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is UHRUBCDQJKYPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-4-24(3)19(26)17-9-18(16-8-6-14(10-20)11-22-16)25(23-17)15-7-5-13(2)21-12-15/h5-9,11-12H,4H2,1-3H3.
What are the key properties of 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 23143800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).