[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone

C23H27ClN4OS — CID 20858249

IUPAC[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)sc21
InChIInChI=1S/C23H27ClN4OS/c1-26-23-19(21(25-26)16-7-9-17(24)10-8-16)15-20(30-23)22(29)28-13-11-27(12-14-28)18-5-3-2-4-6-18/h7-10,15,18H,2-6,11-14H2,1H3
InChIKeyOYZVBGVMXBTVAZ-UHFFFAOYSA-N
MW443.02 g/mol
LogP5.05
Rot. Bonds3

About [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone

[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 20858249) has the molecular formula C23H27ClN4OS and a molecular weight of 443.02 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID20858249
Molecular FormulaC23H27ClN4OS
Molecular Weight443.02 g/mol
Exact Mass442.16
IUPAC Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)sc21
InChIInChI=1S/C23H27ClN4OS/c1-26-23-19(21(25-26)16-7-9-17(24)10-8-16)15-20(30-23)22(29)28-13-11-27(12-14-28)18-5-3-2-4-6-18/h7-10,15,18H,2-6,11-14H2,1H3
InChIKeyOYZVBGVMXBTVAZ-UHFFFAOYSA-N
XLogP5.05
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.02
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20858235
(4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2009988
3-(4-chlorophenyl)-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 20858236
(4-acetylphenyl) 3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 46358457
3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53020534
[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856255
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416107
3-(4-chlorophenyl)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 92662168
(3aS,6aS)-5-(1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146039206
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone
CID 20940465
3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine
CID 142271744

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone (CID 20858249) is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone is Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)sc21.
What is the InChIKey of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is OYZVBGVMXBTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4OS/c1-26-23-19(21(25-26)16-7-9-17(24)10-8-16)15-20(30-23)22(29)28-13-11-27(12-14-28)18-5-3-2-4-6-18/h7-10,15,18H,2-6,11-14H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 443.02 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 20858249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).