N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline

C18H27N3 — CID 43745382

IUPACN-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
SMILESCCCCCCCC(C)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C18H27N3/c1-3-4-5-6-7-9-15(2)20-17-11-8-10-16(14-17)18-12-13-19-21-18/h8,10-15,20H,3-7,9H2,1-2H3,(H,19,21)
InChIKeyFRSRFEHGJBTCGO-UHFFFAOYSA-N
MW285.44 g/mol
LogP5.24
Rot. Bonds9

About N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline

N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline (PubChem CID 43745382) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
PubChem CID43745382
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
SMILESCCCCCCCC(C)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C18H27N3/c1-3-4-5-6-7-9-15(2)20-17-11-8-10-16(14-17)18-12-13-19-21-18/h8,10-15,20H,3-7,9H2,1-2H3,(H,19,21)
InChIKeyFRSRFEHGJBTCGO-UHFFFAOYSA-N
XLogP5.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.44
LogP ≤ 55.24
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-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline
CID 43745442
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
3-(octan-2-ylamino)phenol
CID 43130083
N-octan-2-yl-3-pyrazol-1-ylaniline
CID 43739980
N-nonan-2-yl-3-pyrazol-1-ylaniline
CID 43739973
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206470
3-(heptan-2-ylamino)phenol
CID 43207062
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
CID 54864648
3-ethynyl-N-nonan-2-ylaniline
CID 43129671

Frequently Asked Questions

What is the IUPAC name of N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline (CID 43745382) is N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline is CCCCCCCC(C)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is FRSRFEHGJBTCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-4-5-6-7-9-15(2)20-17-11-8-10-16(14-17)18-12-13-19-21-18/h8,10-15,20H,3-7,9H2,1-2H3,(H,19,21).
What are the key properties of N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline?
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 285.44 g/mol, XLogP of 5.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43745382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).