5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

C14H12ClN3S — CID 106861439

IUPAC5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2cccs2)c(Cl)c1
InChIInChI=1S/C14H12ClN3S/c1-8-4-5-9(10(15)7-8)13-12(14(16)18-17-13)11-3-2-6-19-11/h2-7H,1H3,(H3,16,17,18)
InChIKeyLTTWEJXBJIJTGF-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.35
Rot. Bonds2

About 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 106861439) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID106861439
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2cccs2)c(Cl)c1
InChIInChI=1S/C14H12ClN3S/c1-8-4-5-9(10(15)7-8)13-12(14(16)18-17-13)11-3-2-6-19-11/h2-7H,1H3,(H3,16,17,18)
InChIKeyLTTWEJXBJIJTGF-UHFFFAOYSA-N
XLogP4.35
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 55079031
5-(2-fluoro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62516545
5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 81322945
4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 43334983
6-(2-chloro-4-methylphenyl)pyridin-2-amine
CID 165447815
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 80644038
4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 62501709
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502378
5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62503235
5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62920733
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502031

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 106861439) is 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2-c2cccs2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is LTTWEJXBJIJTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-8-4-5-9(10(15)7-8)13-12(14(16)18-17-13)11-3-2-6-19-11/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 289.79 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 106861439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).