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

C9H14N4O2 — CID 3517994

IUPACN'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCCCC(=O)NNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-3-4-8(14)12-13-9(15)7-5-6(2)10-11-7/h5H,3-4H2,1-2H3,(H,10,11)(H,12,14)(H,13,15)
InChIKeyXHNLCXLIWWVJAE-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.28
Rot. Bonds3

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

N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide (PubChem CID 3517994) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide
PubChem CID3517994
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCCCC(=O)NNC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-3-4-8(14)12-13-9(15)7-5-6(2)10-11-7/h5H,3-4H2,1-2H3,(H,10,11)(H,12,14)(H,13,15)
InChIKeyXHNLCXLIWWVJAE-UHFFFAOYSA-N
XLogP0.28
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.28
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 N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide (CID 3517994) is N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide is CCCC(=O)NNC(=O)c1cc(C)[nH]n1.
What is the InChIKey of N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is XHNLCXLIWWVJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-4-8(14)12-13-9(15)7-5-6(2)10-11-7/h5H,3-4H2,1-2H3,(H,10,11)(H,12,14)(H,13,15).
What are the key properties of N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide?
N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 210.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-5-methyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 3517994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).