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

C9H10N2O2S — CID 2807378

IUPACmethyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C9H10N2O2S/c1-5-6-4-7(9(12)13-3)14-8(6)11(2)10-5/h4H,1-3H3
InChIKeyCVOJLIZHBZCIJM-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.73
Rot. Bonds1

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

methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 2807378) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID2807378
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Namemethyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C9H10N2O2S/c1-5-6-4-7(9(12)13-3)14-8(6)11(2)10-5/h4H,1-3H3
InChIKeyCVOJLIZHBZCIJM-UHFFFAOYSA-N
XLogP1.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2776541
Methyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 652252
1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2764166
ethyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 678008
3-methyl-1-phenyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acid
CID 802154
1-(4-fluorophenyl)-3-methyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acid
CID 2329100
1-Methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2775691
1-Benzyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2363686
5-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
CID 1479561
(2-Amino-2-oxoethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxylate
CID 2503368
3-Methyl-1-(4-methylphenyl)thieno[2,3-c]pyrazole-5-carboxylic acid
CID 674051
1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 43237179

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate (CID 2807378) is methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate is COC(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is CVOJLIZHBZCIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-5-6-4-7(9(12)13-3)14-8(6)11(2)10-5/h4H,1-3H3.
What are the key properties of methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 210.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 2807378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).