2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine

C12H14ClN3 — CID 82476314

IUPAC2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine
SMILESCc1[nH]nc(CCN)c1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-8-12(11(5-6-14)16-15-8)9-3-2-4-10(13)7-9/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyXAPZSYDOEOCEJE-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.54
Rot. Bonds3

About 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine

2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine (PubChem CID 82476314) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine
PubChem CID82476314
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine
SMILESCc1[nH]nc(CCN)c1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-8-12(11(5-6-14)16-15-8)9-3-2-4-10(13)7-9/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyXAPZSYDOEOCEJE-UHFFFAOYSA-N
XLogP2.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine
CID 23068676
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
2-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 57056355
3-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]propanoic acid
CID 82478389
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 75426614
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine
CID 23005889
2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
CID 14827778
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
CID 53197884
[5-(3-chlorophenyl)-2-methylphenyl]methanamine
CID 115038622
4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821013
2-[2-(3-chlorophenyl)phenyl]ethanamine;hydrochloride
CID 164885899

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine (CID 82476314) is 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine is Cc1[nH]nc(CCN)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine?
The InChIKey is XAPZSYDOEOCEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-12(11(5-6-14)16-15-8)9-3-2-4-10(13)7-9/h2-4,7H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine?
2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine is sourced from PubChem (CID 82476314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).