4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide

C18H15N5O2 — CID 145441090

IUPAC4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide
SMILESCC(=O)c1cn(Cc2cc(C#N)c3ncc(C)cc3c2)nc1C(N)=O
InChIInChI=1S/C18H15N5O2/c1-10-3-13-4-12(5-14(6-19)16(13)21-7-10)8-23-9-15(11(2)24)17(22-23)18(20)25/h3-5,7,9H,8H2,1-2H3,(H2,20,25)
InChIKeyJXOXMBKDFJHECI-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.96
Rot. Bonds4

About 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide

4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide (PubChem CID 145441090) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide
PubChem CID145441090
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide
SMILESCC(=O)c1cn(Cc2cc(C#N)c3ncc(C)cc3c2)nc1C(N)=O
InChIInChI=1S/C18H15N5O2/c1-10-3-13-4-12(5-14(6-19)16(13)21-7-10)8-23-9-15(11(2)24)17(22-23)18(20)25/h3-5,7,9H,8H2,1-2H3,(H2,20,25)
InChIKeyJXOXMBKDFJHECI-UHFFFAOYSA-N
XLogP1.96
TPSA114.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[8-(aminomethyl)-3-methylquinolin-6-yl]methyl]-3-cyanopyrazole-4-carboxylic acid
CID 155129261
3-cyano-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 163703459
6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile
CID 118665171
6-(chloromethyl)-3-methylquinoline-8-carbonitrile;6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile
CID 157272733
methyl 8-cyano-3-methylquinoline-6-carboxylate
CID 15965451
2-[(8-cyano-3-methylquinolin-6-yl)methyl]-N-[(2Z)-3-fluoro-2-methylpenta-2,4-dienyl]pyridine-4-carboxamide
CID 145222381
6-(chloromethyl)-3-methylquinoline-8-carbonitrile;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-methylpyridine-4-carboxylate
CID 159399810
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide
CID 134178607
1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylic acid;ethyl 1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;methane
CID 159831333
(E)-5-(8-cyano-3-methylquinolin-6-yl)-N,4-dimethyl-2-methylidene-N-[(6-methyl-5-prop-1-en-2-yl-3-pyridinyl)methyl]pent-3-enamide
CID 146325879
4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide
CID 107345349
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 5-iodo-1H-pyrazole-4-carboxylate;ethyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate;methane
CID 159099009

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide (CID 145441090) is 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide is CC(=O)c1cn(Cc2cc(C#N)c3ncc(C)cc3c2)nc1C(N)=O.
What is the InChIKey of 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is JXOXMBKDFJHECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-10-3-13-4-12(5-14(6-19)16(13)21-7-10)8-23-9-15(11(2)24)17(22-23)18(20)25/h3-5,7,9H,8H2,1-2H3,(H2,20,25).
What are the key properties of 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide?
4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-[(8-cyano-3-methylquinolin-6-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 145441090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).