azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone

C21H25N3OS — CID 8502494

IUPACazocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCCCCC3)cc12
InChIInChI=1S/C21H25N3OS/c1-16-18-14-19(20(25)23-12-8-3-2-4-9-13-23)26-21(18)24(22-16)15-17-10-6-5-7-11-17/h5-7,10-11,14H,2-4,8-9,12-13,15H2,1H3
InChIKeyADCYFUYLZCINFQ-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.86
Rot. Bonds3

About azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone

azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 8502494) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID8502494
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Nameazocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCCCCC3)cc12
InChIInChI=1S/C21H25N3OS/c1-16-18-14-19(20(25)23-12-8-3-2-4-9-13-23)26-21(18)24(22-16)15-17-10-6-5-7-11-17/h5-7,10-11,14H,2-4,8-9,12-13,15H2,1H3
InChIKeyADCYFUYLZCINFQ-UHFFFAOYSA-N
XLogP4.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 27670273
1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528241
(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 119380770
azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17423880
N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 112822529
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55464900
[1-[(2,6-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769213
1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382
(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17458444
1-benzyl-3-methyl-N-(2-pyrrolidin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112770174
(2-oxo-2-piperidin-1-ylethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxylate
CID 7484259

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone (CID 8502494) is azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone is Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCCCCC3)cc12.
What is the InChIKey of azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is ADCYFUYLZCINFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-16-18-14-19(20(25)23-12-8-3-2-4-9-13-23)26-21(18)24(22-16)15-17-10-6-5-7-11-17/h5-7,10-11,14H,2-4,8-9,12-13,15H2,1H3.
What are the key properties of azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone?
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 367.52 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 8502494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).