4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide

C12H15N5O4 — CID 63577579

IUPAC4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1nn(Cc2cc(C(=O)NN)oc2C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O4/c1-6-11(17(19)20)7(2)16(15-6)5-9-4-10(12(18)14-13)21-8(9)3/h4H,5,13H2,1-3H3,(H,14,18)
InChIKeyNEXPAGPRCDCZDF-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.96
Rot. Bonds4

About 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63577579) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63577579
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1nn(Cc2cc(C(=O)NN)oc2C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O4/c1-6-11(17(19)20)7(2)16(15-6)5-9-4-10(12(18)14-13)21-8(9)3/h4H,5,13H2,1-3H3,(H,14,18)
InChIKeyNEXPAGPRCDCZDF-UHFFFAOYSA-N
XLogP0.96
TPSA129.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.96
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 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-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

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzohydrazide
CID 844330
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbohydrazide
CID 17083039
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate
CID 7015130
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 19346553
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]aniline
CID 113274124
5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide
CID 63577216
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N',N'-dimethylbenzohydrazide
CID 9180395
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 19335845
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 19393941
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664486
5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide
CID 63580010

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide (CID 63577579) is 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide is Cc1nn(Cc2cc(C(=O)NN)oc2C)c(C)c1[N+](=O)[O-].
What is the InChIKey of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is NEXPAGPRCDCZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-6-11(17(19)20)7(2)16(15-6)5-9-4-10(12(18)14-13)21-8(9)3/h4H,5,13H2,1-3H3,(H,14,18).
What are the key properties of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide?
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 293.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63577579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).