N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide

C21H25N5O2 — CID 86840317

IUPACN-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)c1
InChIInChI=1S/C21H25N5O2/c1-5-7-19(27)23-16-8-6-9-17(12-16)24-20(28)18-13-22-25(4)21(18)26-14(2)10-11-15(26)3/h6,8-13H,5,7H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyBLESAMDUJHHGKN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.82
Rot. Bonds6

About N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide

N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 86840317) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
PubChem CID86840317
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)c1
InChIInChI=1S/C21H25N5O2/c1-5-7-19(27)23-16-8-6-9-17(12-16)24-20(28)18-13-22-25(4)21(18)26-14(2)10-11-15(26)3/h6,8-13H,5,7H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyBLESAMDUJHHGKN-UHFFFAOYSA-N
XLogP3.82
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
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
N-[3-(butanoylamino)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 87026220
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide
CID 75526259
5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide
CID 60581964
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
N-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582227
1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 167970135
5-(2,5-dimethylpyrrol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 60573945
N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide
CID 71922693
N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582528
N-[3-(butanoylamino)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 2986226
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide (CID 86840317) is N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide is CCCC(=O)Nc1cccc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BLESAMDUJHHGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-5-7-19(27)23-16-8-6-9-17(12-16)24-20(28)18-13-22-25(4)21(18)26-14(2)10-11-15(26)3/h6,8-13H,5,7H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide?
N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86840317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).