4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline

C16H24N4 — CID 104501541

IUPAC4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
SMILESCC(CCN(C)Cc1cnn(C)c1)c1ccc(N)cc1
InChIInChI=1S/C16H24N4/c1-13(15-4-6-16(17)7-5-15)8-9-19(2)11-14-10-18-20(3)12-14/h4-7,10,12-13H,8-9,11,17H2,1-3H3
InChIKeyIWXANDNWGDNYDN-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.63
Rot. Bonds6

About 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline

4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline (PubChem CID 104501541) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
PubChem CID104501541
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
SMILESCC(CCN(C)Cc1cnn(C)c1)c1ccc(N)cc1
InChIInChI=1S/C16H24N4/c1-13(15-4-6-16(17)7-5-15)8-9-19(2)11-14-10-18-20(3)12-14/h4-7,10,12-13H,8-9,11,17H2,1-3H3
InChIKeyIWXANDNWGDNYDN-UHFFFAOYSA-N
XLogP2.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]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

N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105347517
1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62643334
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
1-(4-ethylphenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438554
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
1-(3-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 55055591
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine
CID 61438668

Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline?
The IUPAC name of 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline (CID 104501541) is 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline.
What is the SMILES notation for 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline?
The canonical SMILES for 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline is CC(CCN(C)Cc1cnn(C)c1)c1ccc(N)cc1.
What is the InChIKey of 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline?
The InChIKey is IWXANDNWGDNYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(15-4-6-16(17)7-5-15)8-9-19(2)11-14-10-18-20(3)12-14/h4-7,10,12-13H,8-9,11,17H2,1-3H3.
What are the key properties of 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline?
4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline has a molecular weight of 272.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline is sourced from PubChem (CID 104501541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).