2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

C12H14ClN3 — CID 106756879

IUPAC2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCC(Nc1ccccc1Cl)c1ccnn1C
InChIInChI=1S/C12H14ClN3/c1-9(12-7-8-14-16(12)2)15-11-6-4-3-5-10(11)13/h3-9,15H,1-2H3
InChIKeyUJUQNKLBTTTWGV-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.25
Rot. Bonds3

About 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 106756879) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID106756879
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCC(Nc1ccccc1Cl)c1ccnn1C
InChIInChI=1S/C12H14ClN3/c1-9(12-7-8-14-16(12)2)15-11-6-4-3-5-10(11)13/h3-9,15H,1-2H3
InChIKeyUJUQNKLBTTTWGV-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756818
3-chloro-4-[1-(2-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 107807141
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757127
4-bromo-2,3-dichloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107787459
6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114049325
2-bromo-5-chloro-4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106758070
2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757438
5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114051921
6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106758003
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756779
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
2,5-dibromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757432

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (CID 106756879) is 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is CC(Nc1ccccc1Cl)c1ccnn1C.
What is the InChIKey of 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is UJUQNKLBTTTWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9(12-7-8-14-16(12)2)15-11-6-4-3-5-10(11)13/h3-9,15H,1-2H3.
What are the key properties of 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 235.72 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 106756879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).