5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide

C8H12N4O2 — CID 968945

IUPAC5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide
SMILESCCC(=O)NNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C8H12N4O2/c1-3-7(13)11-12-8(14)6-4-5(2)9-10-6/h4H,3H2,1-2H3,(H,9,10)(H,11,13)(H,12,14)
InChIKeyXQCXSZMNZPPQEF-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.11
Rot. Bonds2

About 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide

5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide (PubChem CID 968945) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide
PubChem CID968945
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide
SMILESCCC(=O)NNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C8H12N4O2/c1-3-7(13)11-12-8(14)6-4-5(2)9-10-6/h4H,3H2,1-2H3,(H,9,10)(H,11,13)(H,12,14)
InChIKeyXQCXSZMNZPPQEF-UHFFFAOYSA-N
XLogP-0.11
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide (CID 968945) is 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide is CCC(=O)NNC(=O)c1cc(C)[nH]n1.
What is the InChIKey of 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is XQCXSZMNZPPQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-7(13)11-12-8(14)6-4-5(2)9-10-6/h4H,3H2,1-2H3,(H,9,10)(H,11,13)(H,12,14).
What are the key properties of 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide?
5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 196.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-propanoyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 968945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).