ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate

C16H16N2O3S — CID 3482605

IUPACethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1
InChIInChI=1S/C16H16N2O3S/c1-4-21-16(19)13-9-12-14(17-18(2)15(12)22-13)10-6-5-7-11(8-10)20-3/h5-9H,4H2,1-3H3
InChIKeyUJHPRTVDVIDKLW-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.49
Rot. Bonds4

About ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate

ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 3482605) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID3482605
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Nameethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1
InChIInChI=1S/C16H16N2O3S/c1-4-21-16(19)13-9-12-14(17-18(2)15(12)22-13)10-6-5-7-11(8-10)20-3/h5-9H,4H2,1-3H3
InChIKeyUJHPRTVDVIDKLW-UHFFFAOYSA-N
XLogP3.49
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 59986498
ethyl 4-[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 24761204
[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856255
N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856272
N-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856247
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 92661763
ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 59986502
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856266
ethyl 5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182741
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856297
ethyl 3-[[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]benzoate
CID 53020527
ethyl 5-(3-methoxyphenyl)-1-methyltriazole-4-carboxylate
CID 103105602

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate (CID 3482605) is ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate is CCOC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1.
What is the InChIKey of ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is UJHPRTVDVIDKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-4-21-16(19)13-9-12-14(17-18(2)15(12)22-13)10-6-5-7-11(8-10)20-3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate?
ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 3482605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).