7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid

C17H25N3O3S — CID 119227274

IUPAC7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid
SMILESCC(C)c1nn(C)c2sc(C(=O)NCCCCCCC(=O)O)cc12
InChIInChI=1S/C17H25N3O3S/c1-11(2)15-12-10-13(24-17(12)20(3)19-15)16(23)18-9-7-5-4-6-8-14(21)22/h10-11H,4-9H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyAOIUNHHFENNWSJ-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.52
Rot. Bonds9

About 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid

7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid (PubChem CID 119227274) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid
PubChem CID119227274
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid
SMILESCC(C)c1nn(C)c2sc(C(=O)NCCCCCCC(=O)O)cc12
InChIInChI=1S/C17H25N3O3S/c1-11(2)15-12-10-13(24-17(12)20(3)19-15)16(23)18-9-7-5-4-6-8-14(21)22/h10-11H,4-9H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyAOIUNHHFENNWSJ-UHFFFAOYSA-N
XLogP3.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic 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

4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 43241773
N-(2-amino-2-methylpropyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119628799
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119607661
cis-(1S,3R)-3-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675311
8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
CID 120535642
(2R)-2-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119367111
2-[4-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214852
N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119567082
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
CID 43092885
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119178061

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid (CID 119227274) is 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid is CC(C)c1nn(C)c2sc(C(=O)NCCCCCCC(=O)O)cc12.
What is the InChIKey of 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid?
The InChIKey is AOIUNHHFENNWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-11(2)15-12-10-13(24-17(12)20(3)19-15)16(23)18-9-7-5-4-6-8-14(21)22/h10-11H,4-9H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid?
7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid has a molecular weight of 351.47 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 119227274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).