N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline

C15H19N3 — CID 104861739

IUPACN-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
SMILESCC1CC(Nc2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C15H19N3/c1-12-9-15(10-12)17-14-5-3-13(4-6-14)11-18-8-2-7-16-18/h2-8,12,15,17H,9-11H2,1H3
InChIKeyWJXQCAUNRXWIAB-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.14
Rot. Bonds4

About N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline

N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline (PubChem CID 104861739) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
PubChem CID104861739
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
SMILESCC1CC(Nc2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C15H19N3/c1-12-9-15(10-12)17-14-5-3-13(4-6-14)11-18-8-2-7-16-18/h2-8,12,15,17H,9-11H2,1H3
InChIKeyWJXQCAUNRXWIAB-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)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

3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106594322
N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
CID 54863506
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
CID 102671179
N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79859948
N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308815
N-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline
CID 54863485
(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 95266842
N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline
CID 64501283

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline (CID 104861739) is N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline is CC1CC(Nc2ccc(Cn3cccn3)cc2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline?
The InChIKey is WJXQCAUNRXWIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-9-15(10-12)17-14-5-3-13(4-6-14)11-18-8-2-7-16-18/h2-8,12,15,17H,9-11H2,1H3.
What are the key properties of N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline?
N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline has a molecular weight of 241.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 104861739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).