4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one

C12H21N3O2 — CID 103995223

IUPAC4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(C2CCCCC2O)c(=O)c1N
InChIInChI=1S/C12H21N3O2/c1-2-5-8-11(13)12(17)15(14-8)9-6-3-4-7-10(9)16/h9-10,14,16H,2-7,13H2,1H3
InChIKeyIPKUCIAOBYOHGM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.19
Rot. Bonds3

About 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one

4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one (PubChem CID 103995223) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one
PubChem CID103995223
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(C2CCCCC2O)c(=O)c1N
InChIInChI=1S/C12H21N3O2/c1-2-5-8-11(13)12(17)15(14-8)9-6-3-4-7-10(9)16/h9-10,14,16H,2-7,13H2,1H3
InChIKeyIPKUCIAOBYOHGM-UHFFFAOYSA-N
XLogP1.19
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one (CID 103995223) is 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one is CCCc1[nH]n(C2CCCCC2O)c(=O)c1N.
What is the InChIKey of 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one?
The InChIKey is IPKUCIAOBYOHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-5-8-11(13)12(17)15(14-8)9-6-3-4-7-10(9)16/h9-10,14,16H,2-7,13H2,1H3.
What are the key properties of 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one?
4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one has a molecular weight of 239.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one is sourced from PubChem (CID 103995223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).