N-nonan-2-yl-3-pyrazol-1-ylaniline

C18H27N3 — CID 43739973

IUPACN-nonan-2-yl-3-pyrazol-1-ylaniline
SMILESCCCCCCCC(C)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H27N3/c1-3-4-5-6-7-10-16(2)20-17-11-8-12-18(15-17)21-14-9-13-19-21/h8-9,11-16,20H,3-7,10H2,1-2H3
InChIKeyFRIDQBASVMCPKB-UHFFFAOYSA-N
MW285.44 g/mol
LogP5.03
Rot. Bonds9

About N-nonan-2-yl-3-pyrazol-1-ylaniline

N-nonan-2-yl-3-pyrazol-1-ylaniline (PubChem CID 43739973) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-nonan-2-yl-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-nonan-2-yl-3-pyrazol-1-ylaniline
PubChem CID43739973
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-nonan-2-yl-3-pyrazol-1-ylaniline
SMILESCCCCCCCC(C)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H27N3/c1-3-4-5-6-7-10-16(2)20-17-11-8-12-18(15-17)21-14-9-13-19-21/h8-9,11-16,20H,3-7,10H2,1-2H3
InChIKeyFRIDQBASVMCPKB-UHFFFAOYSA-N
XLogP5.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.44
LogP ≤ 55.03
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-hexyl-3-pyrazol-1-ylaniline
CID 43739910
N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline
CID 113354869
N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine
CID 43704213
N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline
CID 43739992
N-hexan-2-yl-3-imidazol-1-ylaniline
CID 43779875
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
3-(octan-2-ylamino)phenol
CID 43130083
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
3-(heptan-2-ylamino)phenol
CID 43207062
N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
CID 43688218
3-ethynyl-N-nonan-2-ylaniline
CID 43129671

Frequently Asked Questions

What is the IUPAC name of N-nonan-2-yl-3-pyrazol-1-ylaniline?
The IUPAC name of N-nonan-2-yl-3-pyrazol-1-ylaniline (CID 43739973) is N-nonan-2-yl-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-nonan-2-yl-3-pyrazol-1-ylaniline?
The canonical SMILES for N-nonan-2-yl-3-pyrazol-1-ylaniline is CCCCCCCC(C)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of N-nonan-2-yl-3-pyrazol-1-ylaniline?
The InChIKey is FRIDQBASVMCPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-4-5-6-7-10-16(2)20-17-11-8-12-18(15-17)21-14-9-13-19-21/h8-9,11-16,20H,3-7,10H2,1-2H3.
What are the key properties of N-nonan-2-yl-3-pyrazol-1-ylaniline?
N-nonan-2-yl-3-pyrazol-1-ylaniline has a molecular weight of 285.44 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-2-yl-3-pyrazol-1-ylaniline is sourced from PubChem (CID 43739973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).