1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine

C12H14ClN3 — CID 105497256

IUPAC1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(C)c1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-8(14)11-7-15-16(2)12(11)9-4-3-5-10(13)6-9/h3-8H,14H2,1-2H3
InChIKeyDOLBYBVDLPFXIR-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.76
Rot. Bonds2

About 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine

1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine (PubChem CID 105497256) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine
PubChem CID105497256
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(C)c1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-8(14)11-7-15-16(2)12(11)9-4-3-5-10(13)6-9/h3-8H,14H2,1-2H3
InChIKeyDOLBYBVDLPFXIR-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-1-methylpyrazole-4-carbaldehyde
CID 83822497
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
(E)-3-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]prop-2-enoic acid
CID 69209104
3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline
CID 10403566
1-[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]-N-methylethanamine
CID 105492900
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
5-(3-chlorophenyl)-1-methyltriazole-4-carboxylic acid
CID 82207586
1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
CID 131110893
1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine
CID 84797894
(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine
CID 104941553
1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 105423393
1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 43649836

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine (CID 105497256) is 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine is CC(N)c1cnn(C)c1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine?
The InChIKey is DOLBYBVDLPFXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(14)11-7-15-16(2)12(11)9-4-3-5-10(13)6-9/h3-8H,14H2,1-2H3.
What are the key properties of 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine?
1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 105497256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).