2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide

C9H16N4O2 — CID 4962217

IUPAC2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide
SMILESCC(C)Cn1[nH]c(CC(=O)NN)cc1=O
InChIInChI=1S/C9H16N4O2/c1-6(2)5-13-9(15)4-7(12-13)3-8(14)11-10/h4,6,12H,3,5,10H2,1-2H3,(H,11,14)
InChIKeyPTEYLMYXJBSEPE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.64
Rot. Bonds4

About 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide

2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide (PubChem CID 4962217) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide
PubChem CID4962217
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide
SMILESCC(C)Cn1[nH]c(CC(=O)NN)cc1=O
InChIInChI=1S/C9H16N4O2/c1-6(2)5-13-9(15)4-7(12-13)3-8(14)11-10/h4,6,12H,3,5,10H2,1-2H3,(H,11,14)
InChIKeyPTEYLMYXJBSEPE-UHFFFAOYSA-N
XLogP-0.64
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
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

CID 177679599
CID 177679599
CID 375436
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CID 66020451
CID 66020451
CID 66020653
CID 66020653
CID 66020654
CID 66020654
CID 66020657
CID 66020657
CID 66021070
CID 66021070
CID 66021281
CID 66021281
CID 66022113
CID 66022113
CID 66022729
CID 66022729
CID 66022730
CID 66022730
CID 66022731
CID 66022731

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide?
The IUPAC name of 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide (CID 4962217) is 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide.
What is the SMILES notation for 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide?
The canonical SMILES for 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide is CC(C)Cn1[nH]c(CC(=O)NN)cc1=O.
What is the InChIKey of 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide?
The InChIKey is PTEYLMYXJBSEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(2)5-13-9(15)4-7(12-13)3-8(14)11-10/h4,6,12H,3,5,10H2,1-2H3,(H,11,14).
What are the key properties of 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide?
2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide has a molecular weight of 212.25 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide is sourced from PubChem (CID 4962217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).