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

C14H25N3O2 — CID 63971066

IUPAC4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one
SMILESCCCC1=NN(C2CCCCC2O)C(=O)C1CCN
InChIInChI=1S/C14H25N3O2/c1-2-5-11-10(8-9-15)14(19)17(16-11)12-6-3-4-7-13(12)18/h10,12-13,18H,2-9,15H2,1H3
InChIKeyPHNIKVYNHPJTAC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.25
Rot. Bonds5

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

4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one (PubChem CID 63971066) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one
PubChem CID63971066
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one
SMILESCCCC1=NN(C2CCCCC2O)C(=O)C1CCN
InChIInChI=1S/C14H25N3O2/c1-2-5-11-10(8-9-15)14(19)17(16-11)12-6-3-4-7-13(12)18/h10,12-13,18H,2-9,15H2,1H3
InChIKeyPHNIKVYNHPJTAC-UHFFFAOYSA-N
XLogP1.25
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(2-hydroxycyclohexyl)-4-methyl-4H-pyrazol-3-one
CID 63561652
2-(2-hydroxycyclohexyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 55133205
trans-(1S,2S)-2-(2-propylimidazol-1-yl)cyclopentan-1-ol
CID 102735175
4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one
CID 63971084
trans-(1R,2R)-2-(2-propylpiperidin-1-yl)cyclopentan-1-ol
CID 102734913
2-(2-hydroxycycloheptyl)-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 106468617
4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one
CID 63972052
2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid
CID 62713916
4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822670
2-(4-propylpiperidin-1-yl)cycloheptan-1-ol
CID 62205599
2-(2-hydroxycycloheptyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 55105787
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one?
The IUPAC name of 4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one (CID 63971066) is 4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one?
The canonical SMILES for 4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one is CCCC1=NN(C2CCCCC2O)C(=O)C1CCN.
What is the InChIKey of 4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one?
The InChIKey is PHNIKVYNHPJTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-5-11-10(8-9-15)14(19)17(16-11)12-6-3-4-7-13(12)18/h10,12-13,18H,2-9,15H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one?
4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one has a molecular weight of 267.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one is sourced from PubChem (CID 63971066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).