1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C17H25N3 — CID 61351168

IUPAC1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCCCc1ccc(C(C)NCc2cnn(C)c2)cc1
InChIInChI=1S/C17H25N3/c1-4-5-6-15-7-9-17(10-8-15)14(2)18-11-16-12-19-20(3)13-16/h7-10,12-14,18H,4-6,11H2,1-3H3
InChIKeyXUJWPRKOIOCWSP-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.61
Rot. Bonds7

About 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 61351168) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID61351168
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCCCc1ccc(C(C)NCc2cnn(C)c2)cc1
InChIInChI=1S/C17H25N3/c1-4-5-6-15-7-9-17(10-8-15)14(2)18-11-16-12-19-20(3)13-16/h7-10,12-14,18H,4-6,11H2,1-3H3
InChIKeyXUJWPRKOIOCWSP-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-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

1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
(1R)-1-(1,3-benzodioxol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 93263726
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 75427713
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43225826
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
1-(4-butylphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106368810
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 54922154
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 61351168) is 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is CCCCc1ccc(C(C)NCc2cnn(C)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is XUJWPRKOIOCWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-5-6-15-7-9-17(10-8-15)14(2)18-11-16-12-19-20(3)13-16/h7-10,12-14,18H,4-6,11H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 61351168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).