5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide

C21H21N5O — CID 75526259

IUPAC5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)c2ccccc2n1
InChIInChI=1S/C21H21N5O/c1-13-11-19(16-7-5-6-8-18(16)23-13)24-20(27)17-12-22-25(4)21(17)26-14(2)9-10-15(26)3/h5-12H,1-4H3,(H,23,24,27)
InChIKeyDIEUURSGYLZVHF-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.94
Rot. Bonds3

About 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide

5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide (PubChem CID 75526259) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide
PubChem CID75526259
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)c2ccccc2n1
InChIInChI=1S/C21H21N5O/c1-13-11-19(16-7-5-6-8-18(16)23-13)24-20(27)17-12-22-25(4)21(17)26-14(2)9-10-15(26)3/h5-12H,1-4H3,(H,23,24,27)
InChIKeyDIEUURSGYLZVHF-UHFFFAOYSA-N
XLogP3.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 91641810
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582528
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
N-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582227
N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 86840317
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 52745731
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
CID 107020202
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide (CID 75526259) is 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)c2ccccc2n1.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide?
The InChIKey is DIEUURSGYLZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-11-19(16-7-5-6-8-18(16)23-13)24-20(27)17-12-22-25(4)21(17)26-14(2)9-10-15(26)3/h5-12H,1-4H3,(H,23,24,27).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide?
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.94, 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-(2-methylquinolin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 75526259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).