5-(1-butylpyrazol-4-yl)naphthalen-1-amine

C17H19N3 — CID 172677743

IUPAC5-(1-butylpyrazol-4-yl)naphthalen-1-amine
SMILESCCCCn1cc(-c2cccc3c(N)cccc23)cn1
InChIInChI=1S/C17H19N3/c1-2-3-10-20-12-13(11-19-20)14-6-4-8-16-15(14)7-5-9-17(16)18/h4-9,11-12H,2-3,10,18H2,1H3
InChIKeyJDOJLIAKSWUADZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.09
Rot. Bonds4

About 5-(1-butylpyrazol-4-yl)naphthalen-1-amine

5-(1-butylpyrazol-4-yl)naphthalen-1-amine (PubChem CID 172677743) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(1-butylpyrazol-4-yl)naphthalen-1-amine.

Molecular Properties

Compound Name5-(1-butylpyrazol-4-yl)naphthalen-1-amine
PubChem CID172677743
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-(1-butylpyrazol-4-yl)naphthalen-1-amine
SMILESCCCCn1cc(-c2cccc3c(N)cccc23)cn1
InChIInChI=1S/C17H19N3/c1-2-3-10-20-12-13(11-19-20)14-6-4-8-16-15(14)7-5-9-17(16)18/h4-9,11-12H,2-3,10,18H2,1H3
InChIKeyJDOJLIAKSWUADZ-UHFFFAOYSA-N
XLogP4.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-butylpyrazol-4-yl)naphthalen-1-ol
CID 171396893
4-(1-butylpyrazol-4-yl)-3-fluoro-2-methylaniline
CID 171906285
2-[1-(3-ethylsulfanylpropyl)pyrazol-4-yl]aniline
CID 113473561
3-(1-butylpyrazol-4-yl)-2-methylbenzoic acid
CID 171362105
2-[1-(2-ethylhexyl)pyrazol-4-yl]aniline
CID 63338208
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
CID 161404196
4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide
CID 63338474
[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride
CID 171364566
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine
CID 171364561

Frequently Asked Questions

What is the IUPAC name of 5-(1-butylpyrazol-4-yl)naphthalen-1-amine?
The IUPAC name of 5-(1-butylpyrazol-4-yl)naphthalen-1-amine (CID 172677743) is 5-(1-butylpyrazol-4-yl)naphthalen-1-amine.
What is the SMILES notation for 5-(1-butylpyrazol-4-yl)naphthalen-1-amine?
The canonical SMILES for 5-(1-butylpyrazol-4-yl)naphthalen-1-amine is CCCCn1cc(-c2cccc3c(N)cccc23)cn1.
What is the InChIKey of 5-(1-butylpyrazol-4-yl)naphthalen-1-amine?
The InChIKey is JDOJLIAKSWUADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-3-10-20-12-13(11-19-20)14-6-4-8-16-15(14)7-5-9-17(16)18/h4-9,11-12H,2-3,10,18H2,1H3.
What are the key properties of 5-(1-butylpyrazol-4-yl)naphthalen-1-amine?
5-(1-butylpyrazol-4-yl)naphthalen-1-amine has a molecular weight of 265.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylpyrazol-4-yl)naphthalen-1-amine is sourced from PubChem (CID 172677743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).