N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide

C17H16N4O3 — CID 71867198

IUPACN-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide
SMILESCOc1ccncc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C17H16N4O3/c1-11-3-5-12(6-4-11)21-16(22)9-13(20-21)17(23)19-14-10-18-8-7-15(14)24-2/h3-10,20H,1-2H3,(H,19,23)
InChIKeyAHDPRQQLEPZQTO-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.13
Rot. Bonds4

About N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide

N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 71867198) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID71867198
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide
SMILESCOc1ccncc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C17H16N4O3/c1-11-3-5-12(6-4-11)21-16(22)9-13(20-21)17(23)19-14-10-18-8-7-15(14)24-2/h3-10,20H,1-2H3,(H,19,23)
InChIKeyAHDPRQQLEPZQTO-UHFFFAOYSA-N
XLogP2.13
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide (CID 71867198) is N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide is COc1ccncc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1.
What is the InChIKey of N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is AHDPRQQLEPZQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-3-5-12(6-4-11)21-16(22)9-13(20-21)17(23)19-14-10-18-8-7-15(14)24-2/h3-10,20H,1-2H3,(H,19,23).
What are the key properties of N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide?
N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-pyridinyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71867198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).