1-ethyl-3-methylpyrazole-4-carbohydrazide

C7H12N4O — CID 46318394

IUPAC1-ethyl-3-methylpyrazole-4-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(C)n1
InChIInChI=1S/C7H12N4O/c1-3-11-4-6(5(2)10-11)7(12)9-8/h4H,3,8H2,1-2H3,(H,9,12)
InChIKeyXVABQBAMZSUCNI-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.19
Rot. Bonds2

About 1-ethyl-3-methylpyrazole-4-carbohydrazide

1-ethyl-3-methylpyrazole-4-carbohydrazide (PubChem CID 46318394) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-ethyl-3-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-3-methylpyrazole-4-carbohydrazide
PubChem CID46318394
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-ethyl-3-methylpyrazole-4-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(C)n1
InChIInChI=1S/C7H12N4O/c1-3-11-4-6(5(2)10-11)7(12)9-8/h4H,3,8H2,1-2H3,(H,9,12)
InChIKeyXVABQBAMZSUCNI-UHFFFAOYSA-N
XLogP-0.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(1-ethyl-3-methylpyrazol-4-yl)-2-oxoacetate
CID 112616484
N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 167751137
N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474225
N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474292
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
1-(1-ethyl-3-methylpyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione
CID 19585914
1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 20836792
dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19474183
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
CID 4774253
1-ethyl-3,4-dimethylpyrazole
CID 23556587

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylpyrazole-4-carbohydrazide?
The IUPAC name of 1-ethyl-3-methylpyrazole-4-carbohydrazide (CID 46318394) is 1-ethyl-3-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-ethyl-3-methylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-ethyl-3-methylpyrazole-4-carbohydrazide is CCn1cc(C(=O)NN)c(C)n1.
What is the InChIKey of 1-ethyl-3-methylpyrazole-4-carbohydrazide?
The InChIKey is XVABQBAMZSUCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-11-4-6(5(2)10-11)7(12)9-8/h4H,3,8H2,1-2H3,(H,9,12).
What are the key properties of 1-ethyl-3-methylpyrazole-4-carbohydrazide?
1-ethyl-3-methylpyrazole-4-carbohydrazide has a molecular weight of 168.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46318394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).