4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one

C9H11N3OS — CID 12517264

IUPAC4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one
SMILESCc1c(N)c(=O)n(-c2cccs2)n1C
InChIInChI=1S/C9H11N3OS/c1-6-8(10)9(13)12(11(6)2)7-4-3-5-14-7/h3-5H,10H2,1-2H3
InChIKeyDNSOCLKKHOGFDZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.13
Rot. Bonds1

About 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one

4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one (PubChem CID 12517264) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one
PubChem CID12517264
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one
SMILESCc1c(N)c(=O)n(-c2cccs2)n1C
InChIInChI=1S/C9H11N3OS/c1-6-8(10)9(13)12(11(6)2)7-4-3-5-14-7/h3-5H,10H2,1-2H3
InChIKeyDNSOCLKKHOGFDZ-UHFFFAOYSA-N
XLogP1.13
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one?
The IUPAC name of 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one (CID 12517264) is 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one.
What is the SMILES notation for 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one?
The canonical SMILES for 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one is Cc1c(N)c(=O)n(-c2cccs2)n1C.
What is the InChIKey of 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one?
The InChIKey is DNSOCLKKHOGFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-8(10)9(13)12(11(6)2)7-4-3-5-14-7/h3-5H,10H2,1-2H3.
What are the key properties of 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one?
4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one has a molecular weight of 209.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5-dimethyl-2-thiophen-2-ylpyrazol-3-one is sourced from PubChem (CID 12517264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).