N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline

C15H21N3 — CID 114079537

IUPACN-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline
SMILESCCCC(CC)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-3-5-13(4-2)17-14-8-6-12(7-9-14)15-10-11-16-18-15/h6-11,13,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyYTLZTTYMXPYRBN-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.07
Rot. Bonds6

About N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline

N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline (PubChem CID 114079537) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline
PubChem CID114079537
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline
SMILESCCCC(CC)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-3-5-13(4-2)17-14-8-6-12(7-9-14)15-10-11-16-18-15/h6-11,13,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyYTLZTTYMXPYRBN-UHFFFAOYSA-N
XLogP4.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
2-methyl-3-[4-(1H-pyrazol-5-yl)anilino]butan-2-ol
CID 65337450
N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
CID 61324337
N-[1-(4-iodophenyl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43788690
N-(2,2-dimethoxyethyl)-4-(1H-pyrazol-5-yl)aniline
CID 63697596
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
4-fluoro-N-octan-3-ylaniline
CID 150524995
tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane
CID 174792370
4-N,4-N-diethyl-1-N-hexan-3-ylbenzene-1,4-diamine
CID 114079510
4-ethoxy-N-hexan-3-ylaniline
CID 21311782
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733318
4-methyl-N-octan-4-ylaniline
CID 12779858

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline (CID 114079537) is N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline is CCCC(CC)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline?
The InChIKey is YTLZTTYMXPYRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-5-13(4-2)17-14-8-6-12(7-9-14)15-10-11-16-18-15/h6-11,13,17H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline?
N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline has a molecular weight of 243.35 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-4-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 114079537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).