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

C9H15N3O — CID 740823

IUPAC3-amino-2-cyclohexyl-1H-pyrazol-5-one
SMILESNc1cc(=O)[nH]n1C1CCCCC1
InChIInChI=1S/C9H15N3O/c10-8-6-9(13)11-12(8)7-4-2-1-3-5-7/h6-7H,1-5,10H2,(H,11,13)
InChIKeyWSKUESZJRGGBRL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.26
Rot. Bonds1

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

3-amino-2-cyclohexyl-1H-pyrazol-5-one (PubChem CID 740823) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1H-pyrazol-5-one
PubChem CID740823
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-amino-2-cyclohexyl-1H-pyrazol-5-one
SMILESNc1cc(=O)[nH]n1C1CCCCC1
InChIInChI=1S/C9H15N3O/c10-8-6-9(13)11-12(8)7-4-2-1-3-5-7/h6-7H,1-5,10H2,(H,11,13)
InChIKeyWSKUESZJRGGBRL-UHFFFAOYSA-N
XLogP1.26
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1H-pyrazol-5-one?
The IUPAC name of 3-amino-2-cyclohexyl-1H-pyrazol-5-one (CID 740823) is 3-amino-2-cyclohexyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-amino-2-cyclohexyl-1H-pyrazol-5-one?
The canonical SMILES for 3-amino-2-cyclohexyl-1H-pyrazol-5-one is Nc1cc(=O)[nH]n1C1CCCCC1.
What is the InChIKey of 3-amino-2-cyclohexyl-1H-pyrazol-5-one?
The InChIKey is WSKUESZJRGGBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-8-6-9(13)11-12(8)7-4-2-1-3-5-7/h6-7H,1-5,10H2,(H,11,13).
What are the key properties of 3-amino-2-cyclohexyl-1H-pyrazol-5-one?
3-amino-2-cyclohexyl-1H-pyrazol-5-one has a molecular weight of 181.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1H-pyrazol-5-one is sourced from PubChem (CID 740823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).