5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride

C7H13ClN4O — CID 130616096

IUPAC5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride
SMILESCCc1c(C(=O)NN)cnn1C.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-3-6-5(7(12)10-8)4-9-11(6)2;/h4H,3,8H2,1-2H3,(H,10,12);1H
InChIKeyCEYLZPMTXSGNIY-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.01
Rot. Bonds2

About 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride

5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride (PubChem CID 130616096) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride
PubChem CID130616096
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride
SMILESCCc1c(C(=O)NN)cnn1C.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-3-6-5(7(12)10-8)4-9-11(6)2;/h4H,3,8H2,1-2H3,(H,10,12);1H
InChIKeyCEYLZPMTXSGNIY-UHFFFAOYSA-N
XLogP0.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.01
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

5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
CID 23005694
2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 115731144
(2S)-2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 103790993
2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 138002036
5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 75468759
N-(6-benzamido-3-pyridinyl)-5-ethyl-1-methylpyrazole-4-carboxamide
CID 75373577
1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone
CID 165464413
5-ethyl-N-[(3R,4S)-4-hydroxy-1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 166320817
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119570951

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride?
The IUPAC name of 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride (CID 130616096) is 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride.
What is the SMILES notation for 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride?
The canonical SMILES for 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride is CCc1c(C(=O)NN)cnn1C.Cl.
What is the InChIKey of 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride?
The InChIKey is CEYLZPMTXSGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c1-3-6-5(7(12)10-8)4-9-11(6)2;/h4H,3,8H2,1-2H3,(H,10,12);1H.
What are the key properties of 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride?
5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride is sourced from PubChem (CID 130616096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).