1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol

C13H24N4O — CID 43584180

IUPAC1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol
SMILESCCC1CCCN(CC(O)Cn2cc(N)cn2)C1
InChIInChI=1S/C13H24N4O/c1-2-11-4-3-5-16(7-11)9-13(18)10-17-8-12(14)6-15-17/h6,8,11,13,18H,2-5,7,9-10,14H2,1H3
InChIKeyUIISNKNIMSDOBG-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.95
Rot. Bonds5

About 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol

1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol (PubChem CID 43584180) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol
PubChem CID43584180
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol
SMILESCCC1CCCN(CC(O)Cn2cc(N)cn2)C1
InChIInChI=1S/C13H24N4O/c1-2-11-4-3-5-16(7-11)9-13(18)10-17-8-12(14)6-15-17/h6,8,11,13,18H,2-5,7,9-10,14H2,1H3
InChIKeyUIISNKNIMSDOBG-UHFFFAOYSA-N
XLogP0.95
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol 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-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol (CID 43584180) is 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol is CCC1CCCN(CC(O)Cn2cc(N)cn2)C1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol?
The InChIKey is UIISNKNIMSDOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-11-4-3-5-16(7-11)9-13(18)10-17-8-12(14)6-15-17/h6,8,11,13,18H,2-5,7,9-10,14H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 43584180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).