N-(2-methylpentyl)-4-pyrazol-1-ylaniline

C15H21N3 — CID 43688134

IUPACN-(2-methylpentyl)-4-pyrazol-1-ylaniline
SMILESCCCC(C)CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H21N3/c1-3-5-13(2)12-16-14-6-8-15(9-7-14)18-11-4-10-17-18/h4,6-11,13,16H,3,5,12H2,1-2H3
InChIKeyQICAIMYOMIOACW-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.72
Rot. Bonds6

About N-(2-methylpentyl)-4-pyrazol-1-ylaniline

N-(2-methylpentyl)-4-pyrazol-1-ylaniline (PubChem CID 43688134) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-methylpentyl)-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(2-methylpentyl)-4-pyrazol-1-ylaniline
PubChem CID43688134
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(2-methylpentyl)-4-pyrazol-1-ylaniline
SMILESCCCC(C)CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H21N3/c1-3-5-13(2)12-16-14-6-8-15(9-7-14)18-11-4-10-17-18/h4,6-11,13,16H,3,5,12H2,1-2H3
InChIKeyQICAIMYOMIOACW-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
CID 43688218
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
2-methyl-3-(4-pyrazol-1-ylanilino)butan-2-ol
CID 65337972
N-(1-ethoxypropan-2-yl)-4-pyrazol-1-ylaniline
CID 75483453
N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline
CID 97337940
4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
CID 43673018
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
4-butyl-N-(2-methylpentyl)aniline
CID 43108404

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentyl)-4-pyrazol-1-ylaniline?
The IUPAC name of N-(2-methylpentyl)-4-pyrazol-1-ylaniline (CID 43688134) is N-(2-methylpentyl)-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-(2-methylpentyl)-4-pyrazol-1-ylaniline?
The canonical SMILES for N-(2-methylpentyl)-4-pyrazol-1-ylaniline is CCCC(C)CNc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-methylpentyl)-4-pyrazol-1-ylaniline?
The InChIKey is QICAIMYOMIOACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-5-13(2)12-16-14-6-8-15(9-7-14)18-11-4-10-17-18/h4,6-11,13,16H,3,5,12H2,1-2H3.
What are the key properties of N-(2-methylpentyl)-4-pyrazol-1-ylaniline?
N-(2-methylpentyl)-4-pyrazol-1-ylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)-4-pyrazol-1-ylaniline is sourced from PubChem (CID 43688134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).