2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine

C12H14ClN3 — CID 116818134

IUPAC2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine
SMILESCNCCc1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H14ClN3/c1-14-7-5-11-6-8-16(15-11)12-4-2-3-10(13)9-12/h2-4,6,8-9,14H,5,7H2,1H3
InChIKeyBOHHOQDJHLQIBF-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.29
Rot. Bonds4

About 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine

2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine (PubChem CID 116818134) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine
PubChem CID116818134
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine
SMILESCNCCc1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H14ClN3/c1-14-7-5-11-6-8-16(15-11)12-4-2-3-10(13)9-12/h2-4,6,8-9,14H,5,7H2,1H3
InChIKeyBOHHOQDJHLQIBF-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chloro-4-methylphenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818139
2-[1-(3-chlorophenyl)pyrazol-3-yl]acetonitrile
CID 116818243
2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167260
3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 78889859
1-(3-chlorophenyl)-3-phenylpyrazole
CID 170994248
2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol
CID 116818219
1-(3-chlorophenyl)-3-[(E)-2-methyl-3-(methylamino)prop-2-enoyl]pyridazin-4-one
CID 129077124
3-[3-(3-chlorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167278
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
3-[(3S)-3-(3-chlorophenyl)butyl]-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 58360631
[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 69456348

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine (CID 116818134) is 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine is CNCCc1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine?
The InChIKey is BOHHOQDJHLQIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-14-7-5-11-6-8-16(15-11)12-4-2-3-10(13)9-12/h2-4,6,8-9,14H,5,7H2,1H3.
What are the key properties of 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine?
2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 116818134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).