(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone

C24H22N4O3S — CID 60510046

IUPAC(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc12
InChIInChI=1S/C24H22N4O3S/c1-16-19-15-21(32-24(19)28(25-16)17-7-3-2-4-8-17)23(31)27-13-11-26(12-14-27)22(30)18-9-5-6-10-20(18)29/h2-10,15,29H,11-14H2,1H3
InChIKeyQSMILDJYPKKEMH-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.70
Rot. Bonds3

About (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone

(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 60510046) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID60510046
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc12
InChIInChI=1S/C24H22N4O3S/c1-16-19-15-21(32-24(19)28(25-16)17-7-3-2-4-8-17)23(31)27-13-11-26(12-14-27)22(30)18-9-5-6-10-20(18)29/h2-10,15,29H,11-14H2,1H3
InChIKeyQSMILDJYPKKEMH-UHFFFAOYSA-N
XLogP3.70
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
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CID 617776
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 9148223
(4-methyl-1,4-diazepan-4-ium-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2097564
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(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812
N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
CID 36520985
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone (CID 60510046) is (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone is Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc12.
What is the InChIKey of (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is QSMILDJYPKKEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-16-19-15-21(32-24(19)28(25-16)17-7-3-2-4-8-17)23(31)27-13-11-26(12-14-27)22(30)18-9-5-6-10-20(18)29/h2-10,15,29H,11-14H2,1H3.
What are the key properties of (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone?
(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 446.53 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60510046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).