3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide

C23H22N4O — CID 36645347

IUPAC3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C23H22N4O/c1-16-21(17(2)27(26-16)20-11-4-3-5-12-20)23(28)25-15-13-19-9-6-8-18-10-7-14-24-22(18)19/h3-12,14H,13,15H2,1-2H3,(H,25,28)
InChIKeyNKKUPIJAIUCXAS-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.01
Rot. Bonds5

About 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide

3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide (PubChem CID 36645347) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
PubChem CID36645347
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C23H22N4O/c1-16-21(17(2)27(26-16)20-11-4-3-5-12-20)23(28)25-15-13-19-9-6-8-18-10-7-14-24-22(18)19/h3-12,14H,13,15H2,1-2H3,(H,25,28)
InChIKeyNKKUPIJAIUCXAS-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604
3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
CID 33076349
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134029697
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477685
3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316228
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 18149355

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide (CID 36645347) is 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
The InChIKey is NKKUPIJAIUCXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-21(17(2)27(26-16)20-11-4-3-5-12-20)23(28)25-15-13-19-9-6-8-18-10-7-14-24-22(18)19/h3-12,14H,13,15H2,1-2H3,(H,25,28).
What are the key properties of 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide?
3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 36645347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).