1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine

C20H28N4O — CID 146128649

IUPAC1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine
SMILESCC(Nc1cnn(C(C)C2CC2)c1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H28N4O/c1-15(22-19-13-21-24(14-19)16(2)17-6-7-17)18-4-3-5-20(12-18)23-8-10-25-11-9-23/h3-5,12-17,22H,6-11H2,1-2H3
InChIKeyWHYJQBWRKRTLJM-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.86
Rot. Bonds6

About 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine

1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine (PubChem CID 146128649) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine
PubChem CID146128649
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine
SMILESCC(Nc1cnn(C(C)C2CC2)c1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H28N4O/c1-15(22-19-13-21-24(14-19)16(2)17-6-7-17)18-4-3-5-20(12-18)23-8-10-25-11-9-23/h3-5,12-17,22H,6-11H2,1-2H3
InChIKeyWHYJQBWRKRTLJM-UHFFFAOYSA-N
XLogP3.86
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-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-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine (CID 146128649) is 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine is CC(Nc1cnn(C(C)C2CC2)c1)c1cccc(N2CCOCC2)c1.
What is the InChIKey of 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine?
The InChIKey is WHYJQBWRKRTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(22-19-13-21-24(14-19)16(2)17-6-7-17)18-4-3-5-20(12-18)23-8-10-25-11-9-23/h3-5,12-17,22H,6-11H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine?
1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine has a molecular weight of 340.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 146128649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).