N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

C21H17N5O2 — CID 108789021

IUPACN-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(N)=O)cc2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C21H17N5O2/c1-13-17(21(28)24-16-9-6-15(7-10-16)20(22)27)12-23-26(13)19-11-8-14-4-2-3-5-18(14)25-19/h2-12H,1H3,(H2,22,27)(H,24,28)
InChIKeyCHDLUUHQPIQXHL-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.08
Rot. Bonds4

About N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108789021) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108789021
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(N)=O)cc2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C21H17N5O2/c1-13-17(21(28)24-16-9-6-15(7-10-16)20(22)27)12-23-26(13)19-11-8-14-4-2-3-5-18(14)25-19/h2-12H,1H3,(H2,22,27)(H,24,28)
InChIKeyCHDLUUHQPIQXHL-UHFFFAOYSA-N
XLogP3.08
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789018
[4-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]phenyl] thiocyanate
CID 108788981
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801856
dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
CID 108788953
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801855
5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 108789024
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108789021) is N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is CHDLUUHQPIQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-13-17(21(28)24-16-9-6-15(7-10-16)20(22)27)12-23-26(13)19-11-8-14-4-2-3-5-18(14)25-19/h2-12H,1H3,(H2,22,27)(H,24,28).
What are the key properties of N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108789021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).