2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine

C12H14ClN3 — CID 83896835

IUPAC2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine
SMILESCc1cccc(-n2cc(Cl)c(CCN)n2)c1
InChIInChI=1S/C12H14ClN3/c1-9-3-2-4-10(7-9)16-8-11(13)12(15-16)5-6-14/h2-4,7-8H,5-6,14H2,1H3
InChIKeyFZMGURKETASMGO-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.34
Rot. Bonds3

About 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine

2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine (PubChem CID 83896835) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine
PubChem CID83896835
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine
SMILESCc1cccc(-n2cc(Cl)c(CCN)n2)c1
InChIInChI=1S/C12H14ClN3/c1-9-3-2-4-10(7-9)16-8-11(13)12(15-16)5-6-14/h2-4,7-8H,5-6,14H2,1H3
InChIKeyFZMGURKETASMGO-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 83898598
5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
CID 83864052
2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine
CID 83876858
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
5-(2-aminoethyl)-2-(3-methylphenyl)-4H-1,2,4-triazol-3-one
CID 136999513
1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine
CID 83890375
2-amino-1-[1-(3-methylphenyl)pyrazol-4-yl]ethanol
CID 83887534
2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 10872782
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine
CID 83205233
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82081655
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198074

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine (CID 83896835) is 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine is Cc1cccc(-n2cc(Cl)c(CCN)n2)c1.
What is the InChIKey of 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine?
The InChIKey is FZMGURKETASMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-3-2-4-10(7-9)16-8-11(13)12(15-16)5-6-14/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine?
2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 83896835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).