1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride

C15H23ClN4OS — CID 119416965

IUPAC1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCCNCC3)cc12.Cl
InChIInChI=1S/C15H22N4OS.ClH/c1-10(2)13-11-9-12(21-15(11)18(3)17-13)14(20)19-7-4-5-16-6-8-19;/h9-10,16H,4-8H2,1-3H3;1H
InChIKeyBCKMGTMVZLRTKY-UHFFFAOYSA-N
MW342.90 g/mol
LogP2.62
Rot. Bonds2

About 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride

1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride (PubChem CID 119416965) has the molecular formula C15H23ClN4OS and a molecular weight of 342.90 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
PubChem CID119416965
Molecular FormulaC15H23ClN4OS
Molecular Weight342.90 g/mol
Exact Mass342.13
IUPAC Name1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCCNCC3)cc12.Cl
InChIInChI=1S/C15H22N4OS.ClH/c1-10(2)13-11-9-12(21-15(11)18(3)17-13)14(20)19-7-4-5-16-6-8-19;/h9-10,16H,4-8H2,1-3H3;1H
InChIKeyBCKMGTMVZLRTKY-UHFFFAOYSA-N
XLogP2.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride 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

(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
2-[1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119178061
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
CID 120814021
1-methyl-N-piperidin-3-yl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119427314
5-methyl-1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122118137
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578757
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride
CID 120746178
1,4-diazepan-1-yl-(4,5-dibromothiophen-2-yl)methanone
CID 78981250
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
CID 120732811
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
1,4-diazepan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119418449

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride?
The IUPAC name of 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride (CID 119416965) is 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride?
The canonical SMILES for 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride is CC(C)c1nn(C)c2sc(C(=O)N3CCCNCC3)cc12.Cl.
What is the InChIKey of 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride?
The InChIKey is BCKMGTMVZLRTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS.ClH/c1-10(2)13-11-9-12(21-15(11)18(3)17-13)14(20)19-7-4-5-16-6-8-19;/h9-10,16H,4-8H2,1-3H3;1H.
What are the key properties of 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride?
1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride has a molecular weight of 342.90 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119416965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).