4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one

C10H17N3O — CID 112693118

IUPAC4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCC2)c(=O)c1N
InChIInChI=1S/C10H17N3O/c1-7-9(11)10(14)13(12-7)8-5-3-2-4-6-8/h8,12H,2-6,11H2,1H3
InChIKeyHGSKPMBYPBHXKK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.57
Rot. Bonds1

About 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one

4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one (PubChem CID 112693118) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
PubChem CID112693118
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCC2)c(=O)c1N
InChIInChI=1S/C10H17N3O/c1-7-9(11)10(14)13(12-7)8-5-3-2-4-6-8/h8,12H,2-6,11H2,1H3
InChIKeyHGSKPMBYPBHXKK-UHFFFAOYSA-N
XLogP1.57
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate
CID 125096468
ethyl 2-cyclobutyl-5-methyl-3-oxo-1H-pyrazole-4-carboxylate
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5-amino-2-cyclohexyl-1H-pyrazol-3-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one (CID 112693118) is 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one is Cc1[nH]n(C2CCCCC2)c(=O)c1N.
What is the InChIKey of 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one?
The InChIKey is HGSKPMBYPBHXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-9(11)10(14)13(12-7)8-5-3-2-4-6-8/h8,12H,2-6,11H2,1H3.
What are the key properties of 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one?
4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 112693118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).