[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

C19H21ClN4OS — CID 119467604

IUPAC[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCCCC3CN)cc12
InChIInChI=1S/C19H21ClN4OS/c1-12-16-10-17(18(25)23-8-3-2-6-15(23)11-21)26-19(16)24(22-12)14-7-4-5-13(20)9-14/h4-5,7,9-10,15H,2-3,6,8,11,21H2,1H3
InChIKeyVLYYFWYDTJPMIW-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.00
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 119467604) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID119467604
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCCCC3CN)cc12
InChIInChI=1S/C19H21ClN4OS/c1-12-16-10-17(18(25)23-8-3-2-6-15(23)11-21)26-19(16)24(22-12)14-7-4-5-13(20)9-14/h4-5,7,9-10,15H,2-3,6,8,11,21H2,1H3
InChIKeyVLYYFWYDTJPMIW-UHFFFAOYSA-N
XLogP4.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone with MolForge

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Related Compounds

1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120508597
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 30507119
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359
1-[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355588
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648559
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119434439
[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
CID 166287490
[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112790787
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 136546964
N-(2-acetamidoethyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740679

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (CID 119467604) is [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCCCC3CN)cc12.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is VLYYFWYDTJPMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-12-16-10-17(18(25)23-8-3-2-6-15(23)11-21)26-19(16)24(22-12)14-7-4-5-13(20)9-14/h4-5,7,9-10,15H,2-3,6,8,11,21H2,1H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 388.92 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 119467604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).