N-pentyl-3-(1H-pyrazol-5-yl)aniline

C14H19N3 — CID 43745298

IUPACN-pentyl-3-(1H-pyrazol-5-yl)aniline
SMILESCCCCCNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H19N3/c1-2-3-4-9-15-13-7-5-6-12(11-13)14-8-10-16-17-14/h5-8,10-11,15H,2-4,9H2,1H3,(H,16,17)
InChIKeyUCTIZEVONNXGLN-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.68
Rot. Bonds6

About N-pentyl-3-(1H-pyrazol-5-yl)aniline

N-pentyl-3-(1H-pyrazol-5-yl)aniline (PubChem CID 43745298) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-pentyl-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-pentyl-3-(1H-pyrazol-5-yl)aniline
PubChem CID43745298
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-pentyl-3-(1H-pyrazol-5-yl)aniline
SMILESCCCCCNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H19N3/c1-2-3-4-9-15-13-7-5-6-12(11-13)14-8-10-16-17-14/h5-8,10-11,15H,2-4,9H2,1H3,(H,16,17)
InChIKeyUCTIZEVONNXGLN-UHFFFAOYSA-N
XLogP3.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.68
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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Related Compounds

N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 103947437
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62346092
N-heptyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935756
N-pentyl-1H-pyrazol-5-amine
CID 57317534

Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-pentyl-3-(1H-pyrazol-5-yl)aniline (CID 43745298) is N-pentyl-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-pentyl-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-pentyl-3-(1H-pyrazol-5-yl)aniline is CCCCCNc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-pentyl-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is UCTIZEVONNXGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-3-4-9-15-13-7-5-6-12(11-13)14-8-10-16-17-14/h5-8,10-11,15H,2-4,9H2,1H3,(H,16,17).
What are the key properties of N-pentyl-3-(1H-pyrazol-5-yl)aniline?
N-pentyl-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 229.33 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43745298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).