N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide

C12H20N4O2 — CID 78879143

IUPACN'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
SMILESCC(C)Cc1cc(C(=O)NNC(=O)C(C)C)n[nH]1
InChIInChI=1S/C12H20N4O2/c1-7(2)5-9-6-10(14-13-9)12(18)16-15-11(17)8(3)4/h6-8H,5H2,1-4H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyCPBLFOVJQMETHN-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.03
Rot. Bonds4

About N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide

N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 78879143) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
PubChem CID78879143
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
SMILESCC(C)Cc1cc(C(=O)NNC(=O)C(C)C)n[nH]1
InChIInChI=1S/C12H20N4O2/c1-7(2)5-9-6-10(14-13-9)12(18)16-15-11(17)8(3)4/h6-8H,5H2,1-4H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyCPBLFOVJQMETHN-UHFFFAOYSA-N
XLogP1.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.03
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'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide (CID 78879143) is N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide is CC(C)Cc1cc(C(=O)NNC(=O)C(C)C)n[nH]1.
What is the InChIKey of N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is CPBLFOVJQMETHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)5-9-6-10(14-13-9)12(18)16-15-11(17)8(3)4/h6-8H,5H2,1-4H3,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide?
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 252.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 78879143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).