5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide

C20H19N5O — CID 91641810

IUPAC5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)Nc2cnc3ccccc3c2)cnn1C
InChIInChI=1S/C20H19N5O/c1-13-8-9-14(2)25(13)20-17(12-22-24(20)3)19(26)23-16-10-15-6-4-5-7-18(15)21-11-16/h4-12H,1-3H3,(H,23,26)
InChIKeyMZDKAPUPOVGUCS-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.63
Rot. Bonds3

About 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide

5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide (PubChem CID 91641810) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
PubChem CID91641810
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)Nc2cnc3ccccc3c2)cnn1C
InChIInChI=1S/C20H19N5O/c1-13-8-9-14(2)25(13)20-17(12-22-24(20)3)19(26)23-16-10-15-6-4-5-7-18(15)21-11-16/h4-12H,1-3H3,(H,23,26)
InChIKeyMZDKAPUPOVGUCS-UHFFFAOYSA-N
XLogP3.63
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide
CID 75526259
N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582528
N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 86840317
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
2-(dimethylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 38938974
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide
CID 60581964
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 52745731

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide (CID 91641810) is 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide is Cc1ccc(C)n1-c1c(C(=O)Nc2cnc3ccccc3c2)cnn1C.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide?
The InChIKey is MZDKAPUPOVGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-8-9-14(2)25(13)20-17(12-22-24(20)3)19(26)23-16-10-15-6-4-5-7-18(15)21-11-16/h4-12H,1-3H3,(H,23,26).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide?
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 91641810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).