4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one

C10H17N3O2 — CID 117123231

IUPAC4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one
SMILESNCc1c(O)n(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c11-6-8-9(14)12-13(10(8)15)7-4-2-1-3-5-7/h7,15H,1-6,11H2,(H,12,14)
InChIKeyILCACEZAPXEWLZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds2

About 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one

4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one (PubChem CID 117123231) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one
PubChem CID117123231
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one
SMILESNCc1c(O)n(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c11-6-8-9(14)12-13(10(8)15)7-4-2-1-3-5-7/h7,15H,1-6,11H2,(H,12,14)
InChIKeyILCACEZAPXEWLZ-UHFFFAOYSA-N
XLogP0.85
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one?
The IUPAC name of 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one (CID 117123231) is 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one.
What is the SMILES notation for 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one?
The canonical SMILES for 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one is NCc1c(O)n(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one?
The InChIKey is ILCACEZAPXEWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-6-8-9(14)12-13(10(8)15)7-4-2-1-3-5-7/h7,15H,1-6,11H2,(H,12,14).
What are the key properties of 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one?
4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one has a molecular weight of 211.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-cyclohexyl-3-hydroxy-1H-pyrazol-5-one is sourced from PubChem (CID 117123231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).