3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide

C21H18N4O — CID 51193529

IUPAC3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C21H18N4O/c1-14-20(15(2)25(24-14)17-9-4-3-5-10-17)21(26)23-19-13-12-16-8-6-7-11-18(16)22-19/h3-13H,1-2H3,(H,22,23,26)
InChIKeyVBYNHIJGYCRJLN-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.29
Rot. Bonds3

About 3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide

3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 51193529) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID51193529
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C21H18N4O/c1-14-20(15(2)25(24-14)17-9-4-3-5-10-17)21(26)23-19-13-12-16-8-6-7-11-18(16)22-19/h3-13H,1-2H3,(H,22,23,26)
InChIKeyVBYNHIJGYCRJLN-UHFFFAOYSA-N
XLogP4.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660
N-[3-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55532044
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide
CID 19284556
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-(5-chloro-2-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472297
N-(2,5-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26244719
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55662931
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 19477585

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 51193529) is 3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is VBYNHIJGYCRJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-20(15(2)25(24-14)17-9-4-3-5-10-17)21(26)23-19-13-12-16-8-6-7-11-18(16)22-19/h3-13H,1-2H3,(H,22,23,26).
What are the key properties of 3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.29, 3 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-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 51193529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).