[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone

C21H26N4O2S — CID 120732811

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc2c(C(C)C)nn(C)c2s1
InChIInChI=1S/C21H26N4O2S/c1-13(2)19-15-11-18(28-21(15)24(3)23-19)20(26)25-10-9-22-12-16(25)14-7-5-6-8-17(14)27-4/h5-8,11,13,16,22H,9-10,12H2,1-4H3
InChIKeySVDUFOGVAYRXNU-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.55
Rot. Bonds4

About [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone

[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 120732811) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID120732811
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc2c(C(C)C)nn(C)c2s1
InChIInChI=1S/C21H26N4O2S/c1-13(2)19-15-11-18(28-21(15)24(3)23-19)20(26)25-10-9-22-12-16(25)14-7-5-6-8-17(14)27-4/h5-8,11,13,16,22H,9-10,12H2,1-4H3
InChIKeySVDUFOGVAYRXNU-UHFFFAOYSA-N
XLogP3.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733241
(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402426
[2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 120735305
[2-(3-chlorophenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 120803531
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120733114
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734216
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120734744
(1,3-dimethyl-4-nitropyrazol-5-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734599
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119471958

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone (CID 120732811) is [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone is COc1ccccc1C1CNCCN1C(=O)c1cc2c(C(C)C)nn(C)c2s1.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is SVDUFOGVAYRXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-13(2)19-15-11-18(28-21(15)24(3)23-19)20(26)25-10-9-22-12-16(25)14-7-5-6-8-17(14)27-4/h5-8,11,13,16,22H,9-10,12H2,1-4H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 398.53 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 120732811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).