1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

C16H23N3O — CID 114555894

IUPAC1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-4-11-19-15(9-10-18-19)12-17-13(2)14-5-7-16(20-3)8-6-14/h5-10,13,17H,4,11-12H2,1-3H3
InChIKeyYGVSTHFAANEQJW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 114555894) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID114555894
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-4-11-19-15(9-10-18-19)12-17-13(2)14-5-7-16(20-3)8-6-14/h5-10,13,17H,4,11-12H2,1-3H3
InChIKeyYGVSTHFAANEQJW-UHFFFAOYSA-N
XLogP3.15
TPSA39.08 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine 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

N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762173
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555942
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
CID 114555438
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
1-(2,5-dimethoxyphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761519
4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555748
methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
CID 114555320
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (CID 114555894) is 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1CNC(C)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is YGVSTHFAANEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-11-19-15(9-10-18-19)12-17-13(2)14-5-7-16(20-3)8-6-14/h5-10,13,17H,4,11-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114555894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).