1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

C15H15N3OS2 — CID 51314909

IUPAC1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1
InChIInChI=1S/C15H15N3OS2/c1-9-12-8-13(21-15(12)18(2)17-9)14(19)16-10-4-6-11(20-3)7-5-10/h4-8H,1-3H3,(H,16,19)
InChIKeyCALTXQSHFSGSAT-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.92
Rot. Bonds3

About 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51314909) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51314909
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1
InChIInChI=1S/C15H15N3OS2/c1-9-12-8-13(21-15(12)18(2)17-9)14(19)16-10-4-6-11(20-3)7-5-10/h4-8H,1-3H3,(H,16,19)
InChIKeyCALTXQSHFSGSAT-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
1,3-dimethyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 30806845
N-(3-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304588
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 16599345
1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 61216622
N-(4-bromo-2-fluorophenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26014198
methyl N-[4-[[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 51123423
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 171772848
1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78927998

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 51314909) is 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is CSc1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1.
What is the InChIKey of 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is CALTXQSHFSGSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-9-12-8-13(21-15(12)18(2)17-9)14(19)16-10-4-6-11(20-3)7-5-10/h4-8H,1-3H3,(H,16,19).
What are the key properties of 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51314909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).