2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine

C14H19N3O — CID 164607154

IUPAC2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine
SMILESCC(C)Oc1cccc(-c2cnn(CCN)c2)c1
InChIInChI=1S/C14H19N3O/c1-11(2)18-14-5-3-4-12(8-14)13-9-16-17(10-13)7-6-15/h3-5,8-11H,6-7,15H2,1-2H3
InChIKeyIBXHREWNFJCYGX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.30
Rot. Bonds5

About 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine

2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine (PubChem CID 164607154) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine
PubChem CID164607154
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine
SMILESCC(C)Oc1cccc(-c2cnn(CCN)c2)c1
InChIInChI=1S/C14H19N3O/c1-11(2)18-14-5-3-4-12(8-14)13-9-16-17(10-13)7-6-15/h3-5,8-11H,6-7,15H2,1-2H3
InChIKeyIBXHREWNFJCYGX-UHFFFAOYSA-N
XLogP2.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine 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 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine (CID 164607154) is 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine is CC(C)Oc1cccc(-c2cnn(CCN)c2)c1.
What is the InChIKey of 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine?
The InChIKey is IBXHREWNFJCYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)18-14-5-3-4-12(8-14)13-9-16-17(10-13)7-6-15/h3-5,8-11H,6-7,15H2,1-2H3.
What are the key properties of 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine?
2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 164607154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).