methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate

C17H17N3O3S — CID 36934828

IUPACmethyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)c(C)c1
InChIInChI=1S/C17H17N3O3S/c1-9-7-11(17(22)23-4)5-6-13(9)18-15(21)14-8-12-10(2)19-20(3)16(12)24-14/h5-8H,1-4H3,(H,18,21)
InChIKeyRTLATFPLRLTDAU-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.29
Rot. Bonds3

About methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate

methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate (PubChem CID 36934828) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate
PubChem CID36934828
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Namemethyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)c(C)c1
InChIInChI=1S/C17H17N3O3S/c1-9-7-11(17(22)23-4)5-6-13(9)18-15(21)14-8-12-10(2)19-20(3)16(12)24-14/h5-8H,1-4H3,(H,18,21)
InChIKeyRTLATFPLRLTDAU-UHFFFAOYSA-N
XLogP3.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate with MolForge

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60597423
N-(4-bromo-2-fluorophenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26014198
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 71907690
1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304612
N-(3-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304588
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 16599345
1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51314909
N-[2-(ethylaminomethyl)phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119439894
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate (CID 36934828) is methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)c(C)c1.
What is the InChIKey of methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate?
The InChIKey is RTLATFPLRLTDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-7-11(17(22)23-4)5-6-13(9)18-15(21)14-8-12-10(2)19-20(3)16(12)24-14/h5-8H,1-4H3,(H,18,21).
What are the key properties of methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate?
methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate has a molecular weight of 343.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate is sourced from PubChem (CID 36934828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).