1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide

C10H11N5O3 — CID 43639722

IUPAC1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESCCn1cc([N+](=O)[O-])cc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H11N5O3/c1-2-14-6-8(15(17)18)3-9(14)10(16)13-7-4-11-12-5-7/h3-6H,2H2,1H3,(H,11,12)(H,13,16)
InChIKeyNBVODDZMRMBRNH-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.39
Rot. Bonds4

About 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide

1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide (PubChem CID 43639722) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
PubChem CID43639722
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESCCn1cc([N+](=O)[O-])cc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H11N5O3/c1-2-14-6-8(15(17)18)3-9(14)10(16)13-7-4-11-12-5-7/h3-6H,2H2,1H3,(H,11,12)(H,13,16)
InChIKeyNBVODDZMRMBRNH-UHFFFAOYSA-N
XLogP1.39
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 43639699
N-(5-bromo-1,3-thiazol-2-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 60783546
N-(2-aminophenyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 43639733
N-(4-ethyl-1H-pyrazol-5-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 104620293
N-(2-amino-2-methylpropyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 113282690
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 61237906
1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide
CID 83058880
N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 43639974
1-ethyl-4-nitro-N-(1H-pyrrol-3-ylmethyl)pyrrole-2-carboxamide
CID 106385473
N-[2-(aminomethyl)phenyl]-1-ethyl-4-nitropyrrole-2-carboxamide
CID 64896420
N-(4-iodophenyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 61400273
2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 43639679

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide (CID 43639722) is 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide is CCn1cc([N+](=O)[O-])cc1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is NBVODDZMRMBRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-2-14-6-8(15(17)18)3-9(14)10(16)13-7-4-11-12-5-7/h3-6H,2H2,1H3,(H,11,12)(H,13,16).
What are the key properties of 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43639722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).