2-methylpyrazole-3-carbohydrazide

C5H8N4O — CID 7020600

IUPAC2-methylpyrazole-3-carbohydrazide
SMILESCn1nccc1C(=O)NN
InChIInChI=1S/C5H8N4O/c1-9-4(2-3-7-9)5(10)8-6/h2-3H,6H2,1H3,(H,8,10)
InChIKeyVLWFAOHNVSOWJK-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.98
Rot. Bonds1

About 2-methylpyrazole-3-carbohydrazide

2-methylpyrazole-3-carbohydrazide (PubChem CID 7020600) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 2-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name2-methylpyrazole-3-carbohydrazide
PubChem CID7020600
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name2-methylpyrazole-3-carbohydrazide
SMILESCn1nccc1C(=O)NN
InChIInChI=1S/C5H8N4O/c1-9-4(2-3-7-9)5(10)8-6/h2-3H,6H2,1H3,(H,8,10)
InChIKeyVLWFAOHNVSOWJK-UHFFFAOYSA-N
XLogP-0.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.98
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

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-4-one
CID 585782
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
1H-pyrazole-5-carbohydrazide
CID 7147494
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
4-bromo-1-ethyl-1H-pyrazole-3-carbohydrazide
CID 840889
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
1-methyl-1H-pyrazole-3-carbohydrazide
CID 955611
6-methyl-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 126694545

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazole-3-carbohydrazide?
The IUPAC name of 2-methylpyrazole-3-carbohydrazide (CID 7020600) is 2-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 2-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 2-methylpyrazole-3-carbohydrazide is Cn1nccc1C(=O)NN.
What is the InChIKey of 2-methylpyrazole-3-carbohydrazide?
The InChIKey is VLWFAOHNVSOWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9-4(2-3-7-9)5(10)8-6/h2-3H,6H2,1H3,(H,8,10).
What are the key properties of 2-methylpyrazole-3-carbohydrazide?
2-methylpyrazole-3-carbohydrazide has a molecular weight of 140.15 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 7020600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).