1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide

C16H16N4O2 — CID 138042455

IUPAC1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cc3ccccc3n(C)c2=O)cn1
InChIInChI=1S/C16H16N4O2/c1-19-10-13(9-18-19)15(21)17-8-12-7-11-5-3-4-6-14(11)20(2)16(12)22/h3-7,9-10H,8H2,1-2H3,(H,17,21)
InChIKeyRPPUUVMXCVXCRG-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.20
Rot. Bonds3

About 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide

1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 138042455) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID138042455
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cc3ccccc3n(C)c2=O)cn1
InChIInChI=1S/C16H16N4O2/c1-19-10-13(9-18-19)15(21)17-8-12-7-11-5-3-4-6-14(11)20(2)16(12)22/h3-7,9-10H,8H2,1-2H3,(H,17,21)
InChIKeyRPPUUVMXCVXCRG-UHFFFAOYSA-N
XLogP1.20
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 154796285
4-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyridine-3-carboxamide
CID 136545220
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 166404475
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 167848659
N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 51321501
N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 71922829
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 167858795
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide (CID 138042455) is 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cc3ccccc3n(C)c2=O)cn1.
What is the InChIKey of 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is RPPUUVMXCVXCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-19-10-13(9-18-19)15(21)17-8-12-7-11-5-3-4-6-14(11)20(2)16(12)22/h3-7,9-10H,8H2,1-2H3,(H,17,21).
What are the key properties of 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide?
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 138042455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).