N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

C23H23N5O4 — CID 26821084

IUPACN'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H23N5O4/c1-14-12-19(15(2)27(14)18-6-4-3-5-7-18)23(30)26-25-22(29)16-8-11-20(24-17-9-10-17)21(13-16)28(31)32/h3-8,11-13,17,24H,9-10H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyRRPDCNRQXLRQKQ-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.65
Rot. Bonds6

About N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (PubChem CID 26821084) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
PubChem CID26821084
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H23N5O4/c1-14-12-19(15(2)27(14)18-6-4-3-5-7-18)23(30)26-25-22(29)16-8-11-20(24-17-9-10-17)21(13-16)28(31)32/h3-8,11-13,17,24H,9-10H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyRRPDCNRQXLRQKQ-UHFFFAOYSA-N
XLogP3.65
TPSA118.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432
4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
CID 9160811
[4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 9314973
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
2,5-dimethyl-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-1-phenylpyrrole-3-carboxamide
CID 7929423
4-(cyclopropylamino)-3-nitro-N-(3-phenylprop-2-ynyl)benzamide
CID 51332433
4-(cyclopropylamino)-3-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 9153979
4-(cyclopropylamino)-N'-[2-(2,4-dimethylanilino)acetyl]-3-nitrobenzohydrazide
CID 9432237
2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-2-phenylbutanoic acid
CID 119202056
3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219095
4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 9158207

Frequently Asked Questions

What is the IUPAC name of N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (CID 26821084) is N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1.
What is the InChIKey of N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is RRPDCNRQXLRQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-14-12-19(15(2)27(14)18-6-4-3-5-7-18)23(30)26-25-22(29)16-8-11-20(24-17-9-10-17)21(13-16)28(31)32/h3-8,11-13,17,24H,9-10H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 433.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(cyclopropylamino)-3-nitrobenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 26821084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).