1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine

C13H23N3O — CID 177323818

IUPAC1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine
SMILESCOC1CCC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C13H23N3O/c1-13(2,3)16-12(14)8-11(15-16)9-5-6-10(7-9)17-4/h8-10H,5-7,14H2,1-4H3
InChIKeyPPVDZMOAYOQAPM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.50
Rot. Bonds2

About 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine

1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine (PubChem CID 177323818) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine
PubChem CID177323818
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine
SMILESCOC1CCC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C13H23N3O/c1-13(2,3)16-12(14)8-11(15-16)9-5-6-10(7-9)17-4/h8-10H,5-7,14H2,1-4H3
InChIKeyPPVDZMOAYOQAPM-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine (CID 177323818) is 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine is COC1CCC(c2cc(N)n(C(C)(C)C)n2)C1.
What is the InChIKey of 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine?
The InChIKey is PPVDZMOAYOQAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)16-12(14)8-11(15-16)9-5-6-10(7-9)17-4/h8-10H,5-7,14H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine?
1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine has a molecular weight of 237.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine is sourced from PubChem (CID 177323818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).