N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide

C12H18N4O2 — CID 833283

IUPACN'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCCC2)n[nH]1
InChIInChI=1S/C12H18N4O2/c1-8-7-10(14-13-8)12(18)16-15-11(17)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyLSWWGVNOMPICCW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.06
Rot. Bonds2

About N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide

N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide (PubChem CID 833283) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
PubChem CID833283
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCCC2)n[nH]1
InChIInChI=1S/C12H18N4O2/c1-8-7-10(14-13-8)12(18)16-15-11(17)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyLSWWGVNOMPICCW-UHFFFAOYSA-N
XLogP1.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.06
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'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide (CID 833283) is N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2CCCCC2)n[nH]1.
What is the InChIKey of N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is LSWWGVNOMPICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-7-10(14-13-8)12(18)16-15-11(17)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 250.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 833283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).