5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide

C11H11N5O3 — CID 62168858

IUPAC5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C11H11N5O3/c1-12-7-2-3-10(16(18)19)9(4-7)11(17)15-8-5-13-14-6-8/h2-6,12H,1H3,(H,13,14)(H,15,17)
InChIKeyKFZPDUATDCRASA-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.61
Rot. Bonds4

About 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide

5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 62168858) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
PubChem CID62168858
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C11H11N5O3/c1-12-7-2-3-10(16(18)19)9(4-7)11(17)15-8-5-13-14-6-8/h2-6,12H,1H3,(H,13,14)(H,15,17)
InChIKeyKFZPDUATDCRASA-UHFFFAOYSA-N
XLogP1.61
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.61
H-Bond Donors ≤ 53
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

5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 60877332
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 107586666
2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115750799
3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115602226
5-(methylamino)-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63672242
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 43540234
N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62166566
4-(methylamino)-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81242635
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide (CID 62168858) is 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide is CNc1ccc([N+](=O)[O-])c(C(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is KFZPDUATDCRASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-12-7-2-3-10(16(18)19)9(4-7)11(17)15-8-5-13-14-6-8/h2-6,12H,1H3,(H,13,14)(H,15,17).
What are the key properties of 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide?
5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 261.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 62168858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).