5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide

C18H18N4O2 — CID 166233967

IUPAC5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2ccc(=O)[nH]c2)c1Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c1-22-16(9-13-5-3-2-4-6-13)15(12-21-22)18(24)20-11-14-7-8-17(23)19-10-14/h2-8,10,12H,9,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyQTRWRXFGZCYMGE-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.63
Rot. Bonds5

About 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide

5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 166233967) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID166233967
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2ccc(=O)[nH]c2)c1Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c1-22-16(9-13-5-3-2-4-6-13)15(12-21-22)18(24)20-11-14-7-8-17(23)19-10-14/h2-8,10,12H,9,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyQTRWRXFGZCYMGE-UHFFFAOYSA-N
XLogP1.63
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide
CID 166341062
5-benzyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 170040077
5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 167833868
5-benzyl-N-[[4-(6-methoxy-3H-benzimidazol-1-ium-1-yl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 169300421
5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 166233654
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 100674495
5-[(4-chlorophenyl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 14747589
5-benzyl-N-[(8-hydroxyspiro[3.4]octan-7-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 166281887
(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
CID 155169577
N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide
CID 166327534
2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide
CID 167973640

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide (CID 166233967) is 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide is Cn1ncc(C(=O)NCc2ccc(=O)[nH]c2)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is QTRWRXFGZCYMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22-16(9-13-5-3-2-4-6-13)15(12-21-22)18(24)20-11-14-7-8-17(23)19-10-14/h2-8,10,12H,9,11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide?
5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166233967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).