3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide

C21H25N5O3 — CID 4266683

IUPAC3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2cccn2C)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H25N5O3/c1-4-12-24(13-5-2)21(27)20-15-18(19-7-6-14-23(19)3)22-25(20)16-8-10-17(11-9-16)26(28)29/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyGCAFCUSUXUJCCV-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.05
Rot. Bonds8

About 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide

3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide (PubChem CID 4266683) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
PubChem CID4266683
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2cccn2C)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H25N5O3/c1-4-12-24(13-5-2)21(27)20-15-18(19-7-6-14-23(19)3)22-25(20)16-8-10-17(11-9-16)26(28)29/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyGCAFCUSUXUJCCV-UHFFFAOYSA-N
XLogP4.05
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
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 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-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

1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 4255211
1-(2-chlorophenyl)-3-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 4010733
N-butan-2-yl-3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3315348
[1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3640244
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 1053398
N-(3,3-diphenylpropyl)-3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 42759024
3-(1-methylpyrrol-2-yl)-1-phenyl-N,N-di(propan-2-yl)pyrazole-5-carboxamide
CID 42759279
N-(2-cyanoethyl)-1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758769
N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4234199
N-ethyl-4-nitro-N-propylbenzamide
CID 91720925
1-[3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 3423793
1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)-N-pentylpyrazole-5-carboxamide
CID 3517534

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide (CID 4266683) is 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide is CCCN(CCC)C(=O)c1cc(-c2cccn2C)nn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide?
The InChIKey is GCAFCUSUXUJCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-4-12-24(13-5-2)21(27)20-15-18(19-7-6-14-23(19)3)22-25(20)16-8-10-17(11-9-16)26(28)29/h6-11,14-15H,4-5,12-13H2,1-3H3.
What are the key properties of 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide?
3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide is sourced from PubChem (CID 4266683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).