4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine

C17H25N3 — CID 82881975

IUPAC4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNCC(CCc1ccn(C)n1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-12-18-14-16(15-7-5-4-6-8-15)9-10-17-11-13-20(2)19-17/h4-8,11,13,16,18H,3,9-10,12,14H2,1-2H3
InChIKeyASLHYSSREUBBLG-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.14
Rot. Bonds8

About 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine

4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine (PubChem CID 82881975) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
PubChem CID82881975
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNCC(CCc1ccn(C)n1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-12-18-14-16(15-7-5-4-6-8-15)9-10-17-11-13-20(2)19-17/h4-8,11,13,16,18H,3,9-10,12,14H2,1-2H3
InChIKeyASLHYSSREUBBLG-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1-methylpyrazol-3-yl)-2-phenyl-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-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 82881887
4-(1-methyltriazol-4-yl)-2-phenyl-N-propylbutan-1-amine
CID 107059234
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82872115
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
3-(3-bromo-3-phenylpropyl)-1-methylpyrazole
CID 82877004
2-phenyl-N-propylnonan-1-amine
CID 65429485
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
CID 107053280
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65430048
2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 106104206

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine?
The IUPAC name of 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine (CID 82881975) is 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine is CCCNCC(CCc1ccn(C)n1)c1ccccc1.
What is the InChIKey of 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine?
The InChIKey is ASLHYSSREUBBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-12-18-14-16(15-7-5-4-6-8-15)9-10-17-11-13-20(2)19-17/h4-8,11,13,16,18H,3,9-10,12,14H2,1-2H3.
What are the key properties of 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine?
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 82881975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).