1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid

C16H16N2O2S — CID 43328356

IUPAC1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1cccc(-n2nc(C(C)C)c3cc(C(=O)O)sc32)c1
InChIInChI=1S/C16H16N2O2S/c1-9(2)14-12-8-13(16(19)20)21-15(12)18(17-14)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H,19,20)
InChIKeyKCERBWRVCLNALK-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.22
Rot. Bonds3

About 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid

1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 43328356) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID43328356
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1cccc(-n2nc(C(C)C)c3cc(C(=O)O)sc32)c1
InChIInChI=1S/C16H16N2O2S/c1-9(2)14-12-8-13(16(19)20)21-15(12)18(17-14)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H,19,20)
InChIKeyKCERBWRVCLNALK-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-(difluoromethyl)thieno[3,2-d]pyrazole-5-carboxylic acid
CID 62892421
1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 103294259
[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 2018606
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003930
(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003814
1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 43328358
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 3825563
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4015786
3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid
CID 16637061
N-(3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2005840
5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
CID 170030388

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 43328356) is 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid is Cc1cccc(-n2nc(C(C)C)c3cc(C(=O)O)sc32)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is KCERBWRVCLNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9(2)14-12-8-13(16(19)20)21-15(12)18(17-14)11-6-4-5-10(3)7-11/h4-9H,1-3H3,(H,19,20).
What are the key properties of 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 43328356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).