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

C14H12ClN3S — CID 81322945

IUPAC5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(Cl)cc(-c2[nH]nc(N)c2-c2cccs2)c1
InChIInChI=1S/C14H12ClN3S/c1-8-5-9(7-10(15)6-8)13-12(14(16)18-17-13)11-3-2-4-19-11/h2-7H,1H3,(H3,16,17,18)
InChIKeyBKBNYZSHURLNBV-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.35
Rot. Bonds2

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

5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 81322945) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID81322945
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(Cl)cc(-c2[nH]nc(N)c2-c2cccs2)c1
InChIInChI=1S/C14H12ClN3S/c1-8-5-9(7-10(15)6-8)13-12(14(16)18-17-13)11-3-2-4-19-11/h2-7H,1H3,(H3,16,17,18)
InChIKeyBKBNYZSHURLNBV-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 81322945) is 5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Cc1cc(Cl)cc(-c2[nH]nc(N)c2-c2cccs2)c1.
What is the InChIKey of 5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is BKBNYZSHURLNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-8-5-9(7-10(15)6-8)13-12(14(16)18-17-13)11-3-2-4-19-11/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(3-chloro-5-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-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 81322945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).