4-butyl-N-(2-pyrazol-1-ylethyl)aniline

C15H21N3 — CID 54962348

IUPAC4-butyl-N-(2-pyrazol-1-ylethyl)aniline
SMILESCCCCc1ccc(NCCn2cccn2)cc1
InChIInChI=1S/C15H21N3/c1-2-3-5-14-6-8-15(9-7-14)16-11-13-18-12-4-10-17-18/h4,6-10,12,16H,2-3,5,11,13H2,1H3
InChIKeyCHBKXBOSIXGSAC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.34
Rot. Bonds7

About 4-butyl-N-(2-pyrazol-1-ylethyl)aniline

4-butyl-N-(2-pyrazol-1-ylethyl)aniline (PubChem CID 54962348) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-butyl-N-(2-pyrazol-1-ylethyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(2-pyrazol-1-ylethyl)aniline
PubChem CID54962348
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-butyl-N-(2-pyrazol-1-ylethyl)aniline
SMILESCCCCc1ccc(NCCn2cccn2)cc1
InChIInChI=1S/C15H21N3/c1-2-3-5-14-6-8-15(9-7-14)16-11-13-18-12-4-10-17-18/h4,6-10,12,16H,2-3,5,11,13H2,1H3
InChIKeyCHBKXBOSIXGSAC-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-(2-pyrazol-1-ylethyl)aniline 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

4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000858
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
CID 23104821
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
3-chloro-4-methyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491572
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
N-(2-butoxyethyl)-4-butylaniline
CID 63489745

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-pyrazol-1-ylethyl)aniline?
The IUPAC name of 4-butyl-N-(2-pyrazol-1-ylethyl)aniline (CID 54962348) is 4-butyl-N-(2-pyrazol-1-ylethyl)aniline.
What is the SMILES notation for 4-butyl-N-(2-pyrazol-1-ylethyl)aniline?
The canonical SMILES for 4-butyl-N-(2-pyrazol-1-ylethyl)aniline is CCCCc1ccc(NCCn2cccn2)cc1.
What is the InChIKey of 4-butyl-N-(2-pyrazol-1-ylethyl)aniline?
The InChIKey is CHBKXBOSIXGSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-3-5-14-6-8-15(9-7-14)16-11-13-18-12-4-10-17-18/h4,6-10,12,16H,2-3,5,11,13H2,1H3.
What are the key properties of 4-butyl-N-(2-pyrazol-1-ylethyl)aniline?
4-butyl-N-(2-pyrazol-1-ylethyl)aniline has a molecular weight of 243.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-pyrazol-1-ylethyl)aniline is sourced from PubChem (CID 54962348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).