2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine

C17H25N3 — CID 82871414

IUPAC2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccn(C)n1)c1ccc(C)cc1
InChIInChI=1S/C17H25N3/c1-4-10-18-13-16(12-17-9-11-20(3)19-17)15-7-5-14(2)6-8-15/h5-9,11,16,18H,4,10,12-13H2,1-3H3
InChIKeyYRIOTCPAKHJPDD-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.05
Rot. Bonds7

About 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine

2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine (PubChem CID 82871414) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
PubChem CID82871414
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccn(C)n1)c1ccc(C)cc1
InChIInChI=1S/C17H25N3/c1-4-10-18-13-16(12-17-9-11-20(3)19-17)15-7-5-14(2)6-8-15/h5-9,11,16,18H,4,10,12-13H2,1-3H3
InChIKeyYRIOTCPAKHJPDD-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82872115
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 82881975
N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 82870027
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053398
2-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053400
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82871294

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine (CID 82871414) is 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine is CCCNCC(Cc1ccn(C)n1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is YRIOTCPAKHJPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-18-13-16(12-17-9-11-20(3)19-17)15-7-5-14(2)6-8-15/h5-9,11,16,18H,4,10,12-13H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine?
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 82871414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).