3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine

C15H21N3 — CID 61241369

IUPAC3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
SMILESCC(C)CCNCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-12(2)7-9-16-11-13-3-5-14(6-4-13)15-8-10-17-18-15/h3-6,8,10,12,16H,7,9,11H2,1-2H3,(H,17,18)
InChIKeyYARUITGYHLLOQG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.21
Rot. Bonds6

About 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine

3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine (PubChem CID 61241369) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
PubChem CID61241369
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
SMILESCC(C)CCNCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-12(2)7-9-16-11-13-3-5-14(6-4-13)15-8-10-17-18-15/h3-6,8,10,12,16H,7,9,11H2,1-2H3,(H,17,18)
InChIKeyYARUITGYHLLOQG-UHFFFAOYSA-N
XLogP3.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-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

4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
CID 61241748
2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
CID 63696732
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242
N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine
CID 114810007
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 66414199
1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine
CID 64629153
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 61240789
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
CID 66418255
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine (CID 61241369) is 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine is CC(C)CCNCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine?
The InChIKey is YARUITGYHLLOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)7-9-16-11-13-3-5-14(6-4-13)15-8-10-17-18-15/h3-6,8,10,12,16H,7,9,11H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine?
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 61241369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).