N-hexyl-3-pyrazol-1-ylaniline

C15H21N3 — CID 43739910

IUPACN-hexyl-3-pyrazol-1-ylaniline
SMILESCCCCCCNc1cccc(-n2cccn2)c1
InChIInChI=1S/C15H21N3/c1-2-3-4-5-10-16-14-8-6-9-15(13-14)18-12-7-11-17-18/h6-9,11-13,16H,2-5,10H2,1H3
InChIKeyRXVDACUIAXQELS-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.86
Rot. Bonds7

About N-hexyl-3-pyrazol-1-ylaniline

N-hexyl-3-pyrazol-1-ylaniline (PubChem CID 43739910) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-hexyl-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-hexyl-3-pyrazol-1-ylaniline
PubChem CID43739910
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-hexyl-3-pyrazol-1-ylaniline
SMILESCCCCCCNc1cccc(-n2cccn2)c1
InChIInChI=1S/C15H21N3/c1-2-3-4-5-10-16-14-8-6-9-15(13-14)18-12-7-11-17-18/h6-9,11-13,16H,2-5,10H2,1H3
InChIKeyRXVDACUIAXQELS-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.86
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-octan-2-yl-3-pyrazol-1-ylaniline
CID 43739980
N-nonan-2-yl-3-pyrazol-1-ylaniline
CID 43739973
N-heptyl-3-(pyrazol-1-ylmethyl)aniline
CID 43738861
N-pentyl-3-(1,2,4-triazol-4-yl)aniline
CID 43691893
N-hexyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704280
N-octyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704279
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol
CID 81412463
N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739922
1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 47223913
1-hexyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815931
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrazol-1-ylaniline
CID 62134761

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-pyrazol-1-ylaniline?
The IUPAC name of N-hexyl-3-pyrazol-1-ylaniline (CID 43739910) is N-hexyl-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-hexyl-3-pyrazol-1-ylaniline?
The canonical SMILES for N-hexyl-3-pyrazol-1-ylaniline is CCCCCCNc1cccc(-n2cccn2)c1.
What is the InChIKey of N-hexyl-3-pyrazol-1-ylaniline?
The InChIKey is RXVDACUIAXQELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-3-4-5-10-16-14-8-6-9-15(13-14)18-12-7-11-17-18/h6-9,11-13,16H,2-5,10H2,1H3.
What are the key properties of N-hexyl-3-pyrazol-1-ylaniline?
N-hexyl-3-pyrazol-1-ylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-pyrazol-1-ylaniline is sourced from PubChem (CID 43739910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).