3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine

C15H15N3S — CID 65239157

IUPAC3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine
SMILESCc1cc(-c2cc(N)n(-c3ccccc3)n2)sc1C
InChIInChI=1S/C15H15N3S/c1-10-8-14(19-11(10)2)13-9-15(16)18(17-13)12-6-4-3-5-7-12/h3-9H,16H2,1-2H3
InChIKeyMYASVKXJUQEXCT-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.80
Rot. Bonds2

About 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine

3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine (PubChem CID 65239157) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine
PubChem CID65239157
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine
SMILESCc1cc(-c2cc(N)n(-c3ccccc3)n2)sc1C
InChIInChI=1S/C15H15N3S/c1-10-8-14(19-11(10)2)13-9-15(16)18(17-13)12-6-4-3-5-7-12/h3-9H,16H2,1-2H3
InChIKeyMYASVKXJUQEXCT-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine (CID 65239157) is 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine is Cc1cc(-c2cc(N)n(-c3ccccc3)n2)sc1C.
What is the InChIKey of 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine?
The InChIKey is MYASVKXJUQEXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-8-14(19-11(10)2)13-9-15(16)18(17-13)12-6-4-3-5-7-12/h3-9H,16H2,1-2H3.
What are the key properties of 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine?
3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine has a molecular weight of 269.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylthiophen-2-yl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 65239157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).