5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one

C11H19N3O — CID 83884642

IUPAC5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one
SMILESNCCCc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C11H19N3O/c12-7-3-4-9-8-11(15)14(13-9)10-5-1-2-6-10/h8,10,13H,1-7,12H2
InChIKeyQKKQAEIMICAMAV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.18
Rot. Bonds4

About 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one

5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one (PubChem CID 83884642) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one
PubChem CID83884642
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one
SMILESNCCCc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C11H19N3O/c12-7-3-4-9-8-11(15)14(13-9)10-5-1-2-6-10/h8,10,13H,1-7,12H2
InChIKeyQKKQAEIMICAMAV-UHFFFAOYSA-N
XLogP1.18
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-5-propyl-1H-pyrazol-3-one
CID 66020451
2-cyclopentyl-5-ethyl-1H-pyrazol-3-one
CID 66020467
2-ethyl-5-propyl-1H-pyrazol-3-one
CID 66021909
2,5-dipropyl-1H-pyrazol-3-one
CID 66022729
2-butyl-5-propyl-1H-pyrazol-3-one
CID 66022944
2-butyl-5-propan-2-yl-1H-pyrazol-3-one
CID 66023144
2-butyl-5-ethyl-1H-pyrazol-3-one
CID 66023148
1-cyclopentyl-3-methyl-1H-pyrazol-5-ol
CID 66023346
2-pentyl-5-prop-2-enyl-1H-pyrazol-3-one
CID 70268684
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one
CID 80433430
5-(2-methylpropyl)-2-propyl-1H-pyrazol-3-one
CID 80433530
2,5-bis(2-methylpropyl)-1H-pyrazol-3-one
CID 80433602

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one?
The IUPAC name of 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one (CID 83884642) is 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one is NCCCc1cc(=O)n(C2CCCC2)[nH]1.
What is the InChIKey of 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one?
The InChIKey is QKKQAEIMICAMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-7-3-4-9-8-11(15)14(13-9)10-5-1-2-6-10/h8,10,13H,1-7,12H2.
What are the key properties of 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one?
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one is sourced from PubChem (CID 83884642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).