2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide

C12H20N4O — CID 67468975

IUPAC2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide
SMILESCc1cc(C)n(C2CCCCC2C(=O)NN)n1
InChIInChI=1S/C12H20N4O/c1-8-7-9(2)16(15-8)11-6-4-3-5-10(11)12(17)14-13/h7,10-11H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyIDFZJJAIFGXJHE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.22
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide

2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide (PubChem CID 67468975) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide
PubChem CID67468975
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide
SMILESCc1cc(C)n(C2CCCCC2C(=O)NN)n1
InChIInChI=1S/C12H20N4O/c1-8-7-9(2)16(15-8)11-6-4-3-5-10(11)12(17)14-13/h7,10-11H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyIDFZJJAIFGXJHE-UHFFFAOYSA-N
XLogP1.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
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

2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91938256
[2-(3,5-dimethylpyrazol-1-yl)cyclopentyl]methanamine
CID 43293800
cis-(1S,2R)-cyclopentane-1,2-dicarbohydrazide
CID 130731478
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737973
[(1R,2R)-2-(3,5-dimethylpyrazol-1-yl)cyclohexyl] 2-fluorobenzoate
CID 951419
3-(3,5-dimethylpyrazol-1-yl)oxan-4-amine
CID 43608853
cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40641940
4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine
CID 16783199
ethyl 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79641995
(3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one
CID 97049168
(3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one
CID 97049169
2-cyclopentyl-5-methylpyrazol-3-amine
CID 3152524

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide (CID 67468975) is 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide is Cc1cc(C)n(C2CCCCC2C(=O)NN)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide?
The InChIKey is IDFZJJAIFGXJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-7-9(2)16(15-8)11-6-4-3-5-10(11)12(17)14-13/h7,10-11H,3-6,13H2,1-2H3,(H,14,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide?
2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide has a molecular weight of 236.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 67468975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).