2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid

C13H17N3O3S — CID 79792816

IUPAC2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)O
InChIInChI=1S/C13H17N3O3S/c1-5-13(3,12(18)19)14-10(17)9-6-8-7(2)15-16(4)11(8)20-9/h6H,5H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyXZWZBEHSZFSWSG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.93
Rot. Bonds4

About 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid

2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79792816) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79792816
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)O
InChIInChI=1S/C13H17N3O3S/c1-5-13(3,12(18)19)14-10(17)9-6-8-7(2)15-16(4)11(8)20-9/h6H,5H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyXZWZBEHSZFSWSG-UHFFFAOYSA-N
XLogP1.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-ethylbutanoic acid
CID 79813521
2-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 119199736
N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 56522692
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
(2R)-2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoic acid
CID 54990433
N-[1-[3-(aminomethyl)pentan-3-ylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119572119
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792186
4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 43241773
N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708120
1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120829599
2-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]acetic acid
CID 119171583

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid (CID 79792816) is 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)O.
What is the InChIKey of 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is XZWZBEHSZFSWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-5-13(3,12(18)19)14-10(17)9-6-8-7(2)15-16(4)11(8)20-9/h6H,5H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid?
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 295.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79792816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).