4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C14H15N3O3S — CID 79192218

IUPAC4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)NC3C=CC(C(=O)O)C3)cc12
InChIInChI=1S/C14H15N3O3S/c1-7-10-6-11(21-13(10)17(2)16-7)12(18)15-9-4-3-8(5-9)14(19)20/h3-4,6,8-9H,5H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyAVWWDHRYBMTHHO-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.70
Rot. Bonds3

About 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79192218) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79192218
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)NC3C=CC(C(=O)O)C3)cc12
InChIInChI=1S/C14H15N3O3S/c1-7-10-6-11(21-13(10)17(2)16-7)12(18)15-9-4-3-8(5-9)14(19)20/h3-4,6,8-9H,5H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyAVWWDHRYBMTHHO-UHFFFAOYSA-N
XLogP1.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119457590
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
(2R)-2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoic acid
CID 54990433
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 98614377
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-ethylbutanoic acid
CID 79813521
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 43241773
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 16599345
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid
CID 79792816
N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 56522692

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79192218) is 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is Cc1nn(C)c2sc(C(=O)NC3C=CC(C(=O)O)C3)cc12.
What is the InChIKey of 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is AVWWDHRYBMTHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-10-6-11(21-13(10)17(2)16-7)12(18)15-9-4-3-8(5-9)14(19)20/h3-4,6,8-9H,5H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79192218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).