N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine

C18H27N3 — CID 115706617

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCCCn1nc(C)cc1C)c1ccc(C)cc1
InChIInChI=1S/C18H27N3/c1-5-18(17-9-7-14(2)8-10-17)19-11-6-12-21-16(4)13-15(3)20-21/h7-10,13,18-19H,5-6,11-12H2,1-4H3
InChIKeyPVDSZWSBSYYTFW-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.94
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 115706617) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID115706617
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCCCn1nc(C)cc1C)c1ccc(C)cc1
InChIInChI=1S/C18H27N3/c1-5-18(17-9-7-14(2)8-10-17)19-11-6-12-21-16(4)13-15(3)20-21/h7-10,13,18-19H,5-6,11-12H2,1-4H3
InChIKeyPVDSZWSBSYYTFW-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.94
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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine
CID 115706688
1-cyclopropyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-1-amine
CID 115706698
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]ethyl]-5-methylphenol
CID 104581513
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
3-(3,5-dimethylpyrazol-1-yl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115886215
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62562787
6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine
CID 106800211
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]butanoate
CID 115977434
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 131935574

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine (CID 115706617) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine is CCC(NCCCn1nc(C)cc1C)c1ccc(C)cc1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is PVDSZWSBSYYTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-18(17-9-7-14(2)8-10-17)19-11-6-12-21-16(4)13-15(3)20-21/h7-10,13,18-19H,5-6,11-12H2,1-4H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 115706617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).