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

C17H19N3O2S — CID 51304612

IUPAC1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C17H19N3O2S/c1-4-9-22-14-8-6-5-7-13(14)18-16(21)15-10-12-11(2)19-20(3)17(12)23-15/h5-8,10H,4,9H2,1-3H3,(H,18,21)
InChIKeyMKVANINJOBYASM-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.98
Rot. Bonds5

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

1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51304612) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51304612
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C17H19N3O2S/c1-4-9-22-14-8-6-5-7-13(14)18-16(21)15-10-12-11(2)19-20(3)17(12)23-15/h5-8,10H,4,9H2,1-3H3,(H,18,21)
InChIKeyMKVANINJOBYASM-UHFFFAOYSA-N
XLogP3.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
N-[2-(ethylaminomethyl)phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119439894
1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 78891140
4-ethyl-5-methyl-N-(2-propoxyphenyl)thiophene-2-carboxamide
CID 30235573
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 16604186
N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 71907690
1-benzyl-N-(2-methoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2430094
1,3-dimethyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 17465549
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-(2-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 3350386
methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate
CID 36934828
N-(2-methoxyphenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2024685

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 51304612) is 1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide is CCCOc1ccccc1NC(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of 1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is MKVANINJOBYASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-4-9-22-14-8-6-5-7-13(14)18-16(21)15-10-12-11(2)19-20(3)17(12)23-15/h5-8,10H,4,9H2,1-3H3,(H,18,21).
What are the key properties of 1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51304612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).