methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate

C13H23N3O2 — CID 114558077

IUPACmethyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate
SMILESCCCn1nccc1C(CC(=O)OC)C(N)CC
InChIInChI=1S/C13H23N3O2/c1-4-8-16-12(6-7-15-16)10(11(14)5-2)9-13(17)18-3/h6-7,10-11H,4-5,8-9,14H2,1-3H3
InChIKeyAREIRNSMLJQODP-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.68
Rot. Bonds7

About methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate

methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate (PubChem CID 114558077) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate
PubChem CID114558077
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Namemethyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate
SMILESCCCn1nccc1C(CC(=O)OC)C(N)CC
InChIInChI=1S/C13H23N3O2/c1-4-8-16-12(6-7-15-16)10(11(14)5-2)9-13(17)18-3/h6-7,10-11H,4-5,8-9,14H2,1-3H3
InChIKeyAREIRNSMLJQODP-UHFFFAOYSA-N
XLogP1.68
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate 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 methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate?
The IUPAC name of methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate (CID 114558077) is methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate.
What is the SMILES notation for methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate?
The canonical SMILES for methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate is CCCn1nccc1C(CC(=O)OC)C(N)CC.
What is the InChIKey of methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate?
The InChIKey is AREIRNSMLJQODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-8-16-12(6-7-15-16)10(11(14)5-2)9-13(17)18-3/h6-7,10-11H,4-5,8-9,14H2,1-3H3.
What are the key properties of methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate?
methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate has a molecular weight of 253.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(2-propylpyrazol-3-yl)hexanoate is sourced from PubChem (CID 114558077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).