3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine

C13H25N3O — CID 114197636

IUPAC3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccnn1C(C)C
InChIInChI=1S/C13H25N3O/c1-5-8-14-12(7-10-17-4)13-6-9-15-16(13)11(2)3/h6,9,11-12,14H,5,7-8,10H2,1-4H3
InChIKeyMSGMIJHMBAIJJI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.54
Rot. Bonds8

About 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine

3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine (PubChem CID 114197636) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine
PubChem CID114197636
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccnn1C(C)C
InChIInChI=1S/C13H25N3O/c1-5-8-14-12(7-10-17-4)13-6-9-15-16(13)11(2)3/h6,9,11-12,14H,5,7-8,10H2,1-4H3
InChIKeyMSGMIJHMBAIJJI-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-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 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine (CID 114197636) is 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine is CCCNC(CCOC)c1ccnn1C(C)C.
What is the InChIKey of 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is MSGMIJHMBAIJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-8-14-12(7-10-17-4)13-6-9-15-16(13)11(2)3/h6,9,11-12,14H,5,7-8,10H2,1-4H3.
What are the key properties of 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine?
3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114197636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).