4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one

C13H23N3O — CID 63972052

IUPAC4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCC2)C(=O)C1CCCN
InChIInChI=1S/C13H23N3O/c1-10-12(8-5-9-14)13(17)16(15-10)11-6-3-2-4-7-11/h11-12H,2-9,14H2,1H3
InChIKeyRWVOCDWTXIOUEQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds4

About 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one

4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one (PubChem CID 63972052) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one
PubChem CID63972052
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCC2)C(=O)C1CCCN
InChIInChI=1S/C13H23N3O/c1-10-12(8-5-9-14)13(17)16(15-10)11-6-3-2-4-7-11/h11-12H,2-9,14H2,1H3
InChIKeyRWVOCDWTXIOUEQ-UHFFFAOYSA-N
XLogP1.89
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one (CID 63972052) is 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one is CC1=NN(C2CCCCC2)C(=O)C1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one?
The InChIKey is RWVOCDWTXIOUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-12(8-5-9-14)13(17)16(15-10)11-6-3-2-4-7-11/h11-12H,2-9,14H2,1H3.
What are the key properties of 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one?
4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one has a molecular weight of 237.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 63972052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).