2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid

C17H23N3O3S — CID 119178061

IUPAC2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCC(CC(=O)O)CC3)cc12
InChIInChI=1S/C17H23N3O3S/c1-10(2)15-12-9-13(24-17(12)19(3)18-15)16(23)20-6-4-11(5-7-20)8-14(21)22/h9-11H,4-8H2,1-3H3,(H,21,22)
InChIKeyBHZDMIZUCWVERM-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.09
Rot. Bonds4

About 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid

2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 119178061) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid
PubChem CID119178061
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCC(CC(=O)O)CC3)cc12
InChIInChI=1S/C17H23N3O3S/c1-10(2)15-12-9-13(24-17(12)19(3)18-15)16(23)20-6-4-11(5-7-20)8-14(21)22/h9-11H,4-8H2,1-3H3,(H,21,22)
InChIKeyBHZDMIZUCWVERM-UHFFFAOYSA-N
XLogP3.09
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid with MolForge

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Related Compounds

(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402426
(3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
CID 119380024
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
CID 120814021
5-methyl-1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122118137
2-[1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoyl]piperidin-4-yl]acetic acid
CID 119178628
1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
CID 119416965
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416107
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
CID 120746178
1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169069
cis-(1S,3R)-3-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675311
3-fluoro-N-[[1-methyl-5-(4-methylpiperidine-1-carbonyl)thieno[2,3-c]pyrazol-3-yl]methyl]propanamide;formic acid
CID 155869997

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid (CID 119178061) is 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid is CC(C)c1nn(C)c2sc(C(=O)N3CCC(CC(=O)O)CC3)cc12.
What is the InChIKey of 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is BHZDMIZUCWVERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-10(2)15-12-9-13(24-17(12)19(3)18-15)16(23)20-6-4-11(5-7-20)8-14(21)22/h9-11H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 349.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).