N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide

C11H11N5O3 — CID 3401729

IUPACN'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide
SMILESCc1[nH]nc(NNC(=O)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N5O3/c1-7-9(16(18)19)10(13-12-7)14-15-11(17)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,17)(H2,12,13,14)
InChIKeyWPALKMIPBZCECL-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.38
Rot. Bonds4

About N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide

N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide (PubChem CID 3401729) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide
PubChem CID3401729
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide
SMILESCc1[nH]nc(NNC(=O)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N5O3/c1-7-9(16(18)19)10(13-12-7)14-15-11(17)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,17)(H2,12,13,14)
InChIKeyWPALKMIPBZCECL-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide?
The IUPAC name of N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide (CID 3401729) is N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide.
What is the SMILES notation for N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide?
The canonical SMILES for N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide is Cc1[nH]nc(NNC(=O)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide?
The InChIKey is WPALKMIPBZCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-7-9(16(18)19)10(13-12-7)14-15-11(17)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,17)(H2,12,13,14).
What are the key properties of N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide?
N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide has a molecular weight of 261.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-4-nitro-1H-pyrazol-3-yl)benzohydrazide is sourced from PubChem (CID 3401729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).