5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide

C17H16FN5O3 — CID 60581964

IUPAC5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1C
InChIInChI=1S/C17H16FN5O3/c1-10-4-5-11(2)22(10)17-13(9-19-21(17)3)16(24)20-12-6-7-14(18)15(8-12)23(25)26/h4-9H,1-3H3,(H,20,24)
InChIKeyVNMFNKSRELMCKG-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.13
Rot. Bonds4

About 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide

5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 60581964) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID60581964
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1C
InChIInChI=1S/C17H16FN5O3/c1-10-4-5-11(2)22(10)17-13(9-19-21(17)3)16(24)20-12-6-7-14(18)15(8-12)23(25)26/h4-9H,1-3H3,(H,20,24)
InChIKeyVNMFNKSRELMCKG-UHFFFAOYSA-N
XLogP3.13
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-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

N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 86925257
N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
N-[3-(butanoylamino)phenyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 86840317
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
1-methyl-5-[(4-methyl-3-nitrophenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 29095731
N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044969
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55363401
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 91641810
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide (CID 60581964) is 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide is Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1C.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is VNMFNKSRELMCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-10-4-5-11(2)22(10)17-13(9-19-21(17)3)16(24)20-12-6-7-14(18)15(8-12)23(25)26/h4-9H,1-3H3,(H,20,24).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide?
5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 357.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 60581964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).