2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid

C19H19N3O3S — CID 120521214

IUPAC2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NC(C(=O)O)C3CC3)cc12
InChIInChI=1S/C19H19N3O3S/c1-11-14-9-15(17(23)20-16(19(24)25)13-7-8-13)26-18(14)22(21-11)10-12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyYAKKEVWFVIMPSL-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.05
Rot. Bonds6

About 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid

2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid (PubChem CID 120521214) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid
PubChem CID120521214
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NC(C(=O)O)C3CC3)cc12
InChIInChI=1S/C19H19N3O3S/c1-11-14-9-15(17(23)20-16(19(24)25)13-7-8-13)26-18(14)22(21-11)10-12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyYAKKEVWFVIMPSL-UHFFFAOYSA-N
XLogP3.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 120535877
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382
1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 120598947
1-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 27647797
1-benzyl-3-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8885648
1-benzyl-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 24560325
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8797532
1-benzyl-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112836160
1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17440886
1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8839650
methyl 3-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoate
CID 26923771

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid (CID 120521214) is 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid is Cc1nn(Cc2ccccc2)c2sc(C(=O)NC(C(=O)O)C3CC3)cc12.
What is the InChIKey of 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid?
The InChIKey is YAKKEVWFVIMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-11-14-9-15(17(23)20-16(19(24)25)13-7-8-13)26-18(14)22(21-11)10-12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid?
2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid has a molecular weight of 369.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 120521214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).