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

C18H25N3 — CID 62038342

IUPAC3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCCc3cn[nH]c3C)C2)c1
InChIInChI=1S/C18H25N3/c1-13-5-3-6-15(9-13)17-10-18(11-17)19-8-4-7-16-12-20-21-14(16)2/h3,5-6,9,12,17-19H,4,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeyHGIRKWJWNJBQDA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.49
Rot. Bonds6

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

3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine (PubChem CID 62038342) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine
PubChem CID62038342
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCCc3cn[nH]c3C)C2)c1
InChIInChI=1S/C18H25N3/c1-13-5-3-6-15(9-13)17-10-18(11-17)19-8-4-7-16-12-20-21-14(16)2/h3,5-6,9,12,17-19H,4,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeyHGIRKWJWNJBQDA-UHFFFAOYSA-N
XLogP3.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.49
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 3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine (CID 62038342) is 3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine is Cc1cccc(C2CC(NCCCc3cn[nH]c3C)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine?
The InChIKey is HGIRKWJWNJBQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-5-3-6-15(9-13)17-10-18(11-17)19-8-4-7-16-12-20-21-14(16)2/h3,5-6,9,12,17-19H,4,7-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine?
3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclobutan-1-amine is sourced from PubChem (CID 62038342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).