ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate

C15H14N2O2S — CID 59986498

IUPACethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1
InChIInChI=1S/C15H14N2O2S/c1-3-19-15(18)12-9-11-13(10-7-5-4-6-8-10)16-17(2)14(11)20-12/h4-9H,3H2,1-2H3
InChIKeyRGPQIHAEWSVDAM-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.48
Rot. Bonds3

About ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate

ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 59986498) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID59986498
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Nameethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1
InChIInChI=1S/C15H14N2O2S/c1-3-19-15(18)12-9-11-13(10-7-5-4-6-8-10)16-17(2)14(11)20-12/h4-9H,3H2,1-2H3
InChIKeyRGPQIHAEWSVDAM-UHFFFAOYSA-N
XLogP3.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 3482605
ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 59986502
N,1-dimethyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1484439
ethyl 3-[[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]benzoate
CID 53020527
1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 53212337
ethyl 4-[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 24761204
(2-phenyl-1,3-oxazol-4-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 16604239
(1-phenyltetrazol-5-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 18145271
[2-(N-benzyl-3-methylanilino)-2-oxoethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 16604245
[2-(diethylamino)-2-oxoethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2553516
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 146045900

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate (CID 59986498) is ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate is CCOC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1.
What is the InChIKey of ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is RGPQIHAEWSVDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-19-15(18)12-9-11-13(10-7-5-4-6-8-10)16-17(2)14(11)20-12/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate?
ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 59986498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).