4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

C16H23N3 — CID 103000858

IUPAC4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCCCCc1ccc(NCCc2ccnn2C)cc1
InChIInChI=1S/C16H23N3/c1-3-4-5-14-6-8-15(9-7-14)17-12-10-16-11-13-18-19(16)2/h6-9,11,13,17H,3-5,10,12H2,1-2H3
InChIKeyCCMRBPIZSBDHHS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.42
Rot. Bonds7

About 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 103000858) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID103000858
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCCCCc1ccc(NCCc2ccnn2C)cc1
InChIInChI=1S/C16H23N3/c1-3-4-5-14-6-8-15(9-7-14)17-12-10-16-11-13-18-19(16)2/h6-9,11,13,17H,3-5,10,12H2,1-2H3
InChIKeyCCMRBPIZSBDHHS-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(2-pyrazol-1-ylethyl)aniline
CID 54962348
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 107789369
N-tert-butyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014276
2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001281
5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide
CID 103007115
2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103002231
3-chloro-5-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107365450
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 103012384
5-(4-butylanilino)pentan-1-ol
CID 62228069
N-(2-butoxyethyl)-4-butylaniline
CID 63489745

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (CID 103000858) is 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is CCCCc1ccc(NCCc2ccnn2C)cc1.
What is the InChIKey of 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is CCMRBPIZSBDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-5-14-6-8-15(9-7-14)17-12-10-16-11-13-18-19(16)2/h6-9,11,13,17H,3-5,10,12H2,1-2H3.
What are the key properties of 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 257.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 103000858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).