3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine

C17H25N3 — CID 107331523

IUPAC3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-4-12-18-14-11-17(2,3)16-10-13-19-20(16)15-8-6-5-7-9-15/h5-10,13,18H,4,11-12,14H2,1-3H3
InChIKeyPAYDPWJCOBQOIO-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.54
Rot. Bonds7

About 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine

3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine (PubChem CID 107331523) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine
PubChem CID107331523
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-4-12-18-14-11-17(2,3)16-10-13-19-20(16)15-8-6-5-7-9-15/h5-10,13,18H,4,11-12,14H2,1-3H3
InChIKeyPAYDPWJCOBQOIO-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-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

N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine
CID 107331269
2-phenyl-N-propylpyrazol-3-amine
CID 54170155
1-amino-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107329988
1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107330025
3-(2,6-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023147
2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine
CID 107331147
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
5-(methoxymethyl)-1-phenylpyrazole
CID 13434116
1-(cyclopropylamino)-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107331455
2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol
CID 107330039
2-(ethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331632
3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine
CID 81023267

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine (CID 107331523) is 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine is CCCNCCC(C)(C)c1ccnn1-c1ccccc1.
What is the InChIKey of 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is PAYDPWJCOBQOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-12-18-14-11-17(2,3)16-10-13-19-20(16)15-8-6-5-7-9-15/h5-10,13,18H,4,11-12,14H2,1-3H3.
What are the key properties of 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine?
3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 107331523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).