4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

C11H13N5O3 — CID 115621174

IUPAC4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
SMILESCCCc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1
InChIInChI=1S/C11H13N5O3/c1-2-3-7-4-10(15-14-7)13-11(17)9-5-8(6-12-9)16(18)19/h4-6,12H,2-3H2,1H3,(H2,13,14,15,17)
InChIKeyCHJWYLOPYMIVHU-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.85
Rot. Bonds5

About 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 115621174) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID115621174
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
SMILESCCCc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1
InChIInChI=1S/C11H13N5O3/c1-2-3-7-4-10(15-14-7)13-11(17)9-5-8(6-12-9)16(18)19/h4-6,12H,2-3H2,1H3,(H2,13,14,15,17)
InChIKeyCHJWYLOPYMIVHU-UHFFFAOYSA-N
XLogP1.85
TPSA116.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 104616213
N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115609335
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 112690383
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 104618246
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide (CID 115621174) is 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide is CCCc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1.
What is the InChIKey of 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is CHJWYLOPYMIVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-2-3-7-4-10(15-14-7)13-11(17)9-5-8(6-12-9)16(18)19/h4-6,12H,2-3H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide?
4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115621174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).