(5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone

C15H13N3OS — CID 1263277

IUPAC(5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone
SMILESCc1nn(C(=O)c2cccs2)c(N)c1-c1ccccc1
InChIInChI=1S/C15H13N3OS/c1-10-13(11-6-3-2-4-7-11)14(16)18(17-10)15(19)12-8-5-9-20-12/h2-9H,16H2,1H3
InChIKeyIWLLOIUNYLLJGP-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.19
Rot. Bonds2

About (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone

(5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone (PubChem CID 1263277) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone
PubChem CID1263277
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name(5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone
SMILESCc1nn(C(=O)c2cccs2)c(N)c1-c1ccccc1
InChIInChI=1S/C15H13N3OS/c1-10-13(11-6-3-2-4-7-11)14(16)18(17-10)15(19)12-8-5-9-20-12/h2-9H,16H2,1H3
InChIKeyIWLLOIUNYLLJGP-UHFFFAOYSA-N
XLogP3.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone (CID 1263277) is (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone is Cc1nn(C(=O)c2cccs2)c(N)c1-c1ccccc1.
What is the InChIKey of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone?
The InChIKey is IWLLOIUNYLLJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-13(11-6-3-2-4-7-11)14(16)18(17-10)15(19)12-8-5-9-20-12/h2-9H,16H2,1H3.
What are the key properties of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone?
(5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone has a molecular weight of 283.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 1263277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).