1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide

C12H13N5O4 — CID 19618722

IUPAC1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide
SMILESCc1ccc([N+](=O)[O-])c(OCn2ccc(C(=O)NN)n2)c1
InChIInChI=1S/C12H13N5O4/c1-8-2-3-10(17(19)20)11(6-8)21-7-16-5-4-9(15-16)12(18)14-13/h2-6H,7,13H2,1H3,(H,14,18)
InChIKeyIQBWAXHFNCGNRP-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.74
Rot. Bonds5

About 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide

1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide (PubChem CID 19618722) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide
PubChem CID19618722
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide
SMILESCc1ccc([N+](=O)[O-])c(OCn2ccc(C(=O)NN)n2)c1
InChIInChI=1S/C12H13N5O4/c1-8-2-3-10(17(19)20)11(6-8)21-7-16-5-4-9(15-16)12(18)14-13/h2-6H,7,13H2,1H3,(H,14,18)
InChIKeyIQBWAXHFNCGNRP-UHFFFAOYSA-N
XLogP0.74
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 4776757
1-[(5-fluoro-2-nitrophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19280550
1-[(2,4-dichlorophenoxy)methyl]-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19270157
N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276883
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276974
N-ethyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19274189
1-[(2-nitrophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19274039
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide
CID 19265259
1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19280590
1-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methyl-4-nitrophenyl)pyrazole-3-carboxamide
CID 19275593
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276980
N-(1-ethyl-5-methylpyrazol-4-yl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276936

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide?
The IUPAC name of 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide (CID 19618722) is 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide is Cc1ccc([N+](=O)[O-])c(OCn2ccc(C(=O)NN)n2)c1.
What is the InChIKey of 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide?
The InChIKey is IQBWAXHFNCGNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-8-2-3-10(17(19)20)11(6-8)21-7-16-5-4-9(15-16)12(18)14-13/h2-6H,7,13H2,1H3,(H,14,18).
What are the key properties of 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide?
1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide has a molecular weight of 291.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-nitrophenoxy)methyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 19618722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).