1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine

C16H23N3O — CID 105186612

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
SMILESCCn1ncc(OC)c1C(N)CCCc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-19-16(15(20-2)12-18-19)14(17)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,17H2,1-2H3
InChIKeyPLBQKUMGOMFIBW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.93
Rot. Bonds7

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine

1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine (PubChem CID 105186612) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
PubChem CID105186612
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
SMILESCCn1ncc(OC)c1C(N)CCCc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-19-16(15(20-2)12-18-19)14(17)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,17H2,1-2H3
InChIKeyPLBQKUMGOMFIBW-UHFFFAOYSA-N
XLogP2.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-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

Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114650058
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653438
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenoxyethanamine
CID 114649620
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine
CID 114651952
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine (CID 105186612) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine is CCn1ncc(OC)c1C(N)CCCc1ccccc1.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine?
The InChIKey is PLBQKUMGOMFIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19-16(15(20-2)12-18-19)14(17)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,17H2,1-2H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 105186612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).