azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone

C19H21N3OS — CID 939101

IUPACazepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCCCCC3)cc12
InChIInChI=1S/C19H21N3OS/c1-14-16-13-17(18(23)21-11-7-2-3-8-12-21)24-19(16)22(20-14)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3
InChIKeyMDGOXQUIAFCDAN-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.41
Rot. Bonds2

About azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone

azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 939101) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID939101
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Nameazepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCCCCC3)cc12
InChIInChI=1S/C19H21N3OS/c1-14-16-13-17(18(23)21-11-7-2-3-8-12-21)24-19(16)22(20-14)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3
InChIKeyMDGOXQUIAFCDAN-UHFFFAOYSA-N
XLogP4.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone 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

(3S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 68819817
(4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2097564
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 60510046
N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 138994139
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 9148223
(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 4083726
(2-oxo-2-pyrrolidin-1-ylethyl) 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2356253
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2030782
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 1076000

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone (CID 939101) is azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone is Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCCCC3)cc12.
What is the InChIKey of azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is MDGOXQUIAFCDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-16-13-17(18(23)21-11-7-2-3-8-12-21)24-19(16)22(20-14)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3.
What are the key properties of azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 339.46 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 939101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).