1-(1-phenylpyrazol-3-yl)octan-1-amine

C17H25N3 — CID 105124905

IUPAC1-(1-phenylpyrazol-3-yl)octan-1-amine
SMILESCCCCCCCC(N)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H25N3/c1-2-3-4-5-9-12-16(18)17-13-14-20(19-17)15-10-7-6-8-11-15/h6-8,10-11,13-14,16H,2-5,9,12,18H2,1H3
InChIKeyGQDWCRNIJGYJOS-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.23
Rot. Bonds8

About 1-(1-phenylpyrazol-3-yl)octan-1-amine

1-(1-phenylpyrazol-3-yl)octan-1-amine (PubChem CID 105124905) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-3-yl)octan-1-amine.

Molecular Properties

Compound Name1-(1-phenylpyrazol-3-yl)octan-1-amine
PubChem CID105124905
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(1-phenylpyrazol-3-yl)octan-1-amine
SMILESCCCCCCCC(N)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H25N3/c1-2-3-4-5-9-12-16(18)17-13-14-20(19-17)15-10-7-6-8-11-15/h6-8,10-11,13-14,16H,2-5,9,12,18H2,1H3
InChIKeyGQDWCRNIJGYJOS-UHFFFAOYSA-N
XLogP4.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.23
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-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124562
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine
CID 105156665
1-phenyldecan-1-amine
CID 43175860
2-(3-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105086005
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
1-quinolin-2-yloctan-1-amine
CID 63222846
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-(1-phenylpyrazol-3-yl)oct-7-enylhydrazine
CID 107013000
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-(1-methylimidazol-4-yl)nonan-1-amine
CID 107974313
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-3-yl)octan-1-amine?
The IUPAC name of 1-(1-phenylpyrazol-3-yl)octan-1-amine (CID 105124905) is 1-(1-phenylpyrazol-3-yl)octan-1-amine.
What is the SMILES notation for 1-(1-phenylpyrazol-3-yl)octan-1-amine?
The canonical SMILES for 1-(1-phenylpyrazol-3-yl)octan-1-amine is CCCCCCCC(N)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-(1-phenylpyrazol-3-yl)octan-1-amine?
The InChIKey is GQDWCRNIJGYJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-4-5-9-12-16(18)17-13-14-20(19-17)15-10-7-6-8-11-15/h6-8,10-11,13-14,16H,2-5,9,12,18H2,1H3.
What are the key properties of 1-(1-phenylpyrazol-3-yl)octan-1-amine?
1-(1-phenylpyrazol-3-yl)octan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-3-yl)octan-1-amine is sourced from PubChem (CID 105124905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).