5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

C15H15N3S — CID 55079031

IUPAC5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1ccc(C)c(-c2[nH]nc(N)c2-c2cccs2)c1
InChIInChI=1S/C15H15N3S/c1-9-5-6-10(2)11(8-9)14-13(15(16)18-17-14)12-4-3-7-19-12/h3-8H,1-2H3,(H3,16,17,18)
InChIKeyNSXFFEXCQZKDKF-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.00
Rot. Bonds2

About 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 55079031) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID55079031
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1ccc(C)c(-c2[nH]nc(N)c2-c2cccs2)c1
InChIInChI=1S/C15H15N3S/c1-9-5-6-10(2)11(8-9)14-13(15(16)18-17-14)12-4-3-7-19-12/h3-8H,1-2H3,(H3,16,17,18)
InChIKeyNSXFFEXCQZKDKF-UHFFFAOYSA-N
XLogP4.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 55079031) is 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Cc1ccc(C)c(-c2[nH]nc(N)c2-c2cccs2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is NSXFFEXCQZKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-5-6-10(2)11(8-9)14-13(15(16)18-17-14)12-4-3-7-19-12/h3-8H,1-2H3,(H3,16,17,18).
What are the key properties of 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 269.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 55079031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).