1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine

C17H25N3 — CID 62040667

IUPAC1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCCc1cn[nH]c1C)c1ccc(C)cc1
InChIInChI=1S/C17H25N3/c1-4-17(15-9-7-13(2)8-10-15)18-11-5-6-16-12-19-20-14(16)3/h7-10,12,17-18H,4-6,11H2,1-3H3,(H,19,20)
InChIKeySSOREORJNHQRBB-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.70
Rot. Bonds7

About 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine

1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine (PubChem CID 62040667) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
PubChem CID62040667
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCCc1cn[nH]c1C)c1ccc(C)cc1
InChIInChI=1S/C17H25N3/c1-4-17(15-9-7-13(2)8-10-15)18-11-5-6-16-12-19-20-14(16)3/h7-10,12,17-18H,4-6,11H2,1-3H3,(H,19,20)
InChIKeySSOREORJNHQRBB-UHFFFAOYSA-N
XLogP3.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine (CID 62040667) is 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine is CCC(NCCCc1cn[nH]c1C)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The InChIKey is SSOREORJNHQRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-17(15-9-7-13(2)8-10-15)18-11-5-6-16-12-19-20-14(16)3/h7-10,12,17-18H,4-6,11H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 62040667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).