N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline

C16H23N3 — CID 43688218

IUPACN-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
SMILESCC(C)CCC(C)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H23N3/c1-13(2)5-6-14(3)18-15-7-9-16(10-8-15)19-12-4-11-17-19/h4,7-14,18H,5-6H2,1-3H3
InChIKeyPGTAYYZRIDKKAV-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.11
Rot. Bonds6

About N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline

N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline (PubChem CID 43688218) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
PubChem CID43688218
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
SMILESCC(C)CCC(C)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H23N3/c1-13(2)5-6-14(3)18-15-7-9-16(10-8-15)19-12-4-11-17-19/h4,7-14,18H,5-6H2,1-3H3
InChIKeyPGTAYYZRIDKKAV-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline
CID 64629725
N-(1-ethoxypropan-2-yl)-4-pyrazol-1-ylaniline
CID 75483453
N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline
CID 97337940
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
2-methyl-3-(4-pyrazol-1-ylanilino)butan-2-ol
CID 65337972
N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
CID 43736970
N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-4-(triazol-1-yl)aniline
CID 99590957
N-(2-methylpentyl)-4-pyrazol-1-ylaniline
CID 43688134
5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline
CID 63449572
N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
CID 43732186
1-(6-methylheptan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063330
N-nonan-2-yl-3-pyrazol-1-ylaniline
CID 43739973

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline?
The IUPAC name of N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline (CID 43688218) is N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline?
The canonical SMILES for N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline is CC(C)CCC(C)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline?
The InChIKey is PGTAYYZRIDKKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)5-6-14(3)18-15-7-9-16(10-8-15)19-12-4-11-17-19/h4,7-14,18H,5-6H2,1-3H3.
What are the key properties of N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline?
N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline has a molecular weight of 257.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline is sourced from PubChem (CID 43688218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).