(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone

C29H28N4O2S — CID 5125693

IUPAC(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(CCOc4cccc5ccccc45)CC3)cc12
InChIInChI=1S/C29H28N4O2S/c1-21-25-20-27(36-29(25)33(30-21)23-10-3-2-4-11-23)28(34)32-16-14-31(15-17-32)18-19-35-26-13-7-9-22-8-5-6-12-24(22)26/h2-13,20H,14-19H2,1H3
InChIKeyFNHGEFCGTBPWMF-UHFFFAOYSA-N
MW496.64 g/mol
LogP5.39
Rot. Bonds6

About (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone

(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 5125693) has the molecular formula C29H28N4O2S and a molecular weight of 496.64 g/mol. Its IUPAC name is (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone
PubChem CID5125693
Molecular FormulaC29H28N4O2S
Molecular Weight496.64 g/mol
Exact Mass496.19
IUPAC Name(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(CCOc4cccc5ccccc45)CC3)cc12
InChIInChI=1S/C29H28N4O2S/c1-21-25-20-27(36-29(25)33(30-21)23-10-3-2-4-11-23)28(34)32-16-14-31(15-17-32)18-19-35-26-13-7-9-22-8-5-6-12-24(22)26/h2-13,20H,14-19H2,1H3
InChIKeyFNHGEFCGTBPWMF-UHFFFAOYSA-N
XLogP5.39
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.64
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 9148223
[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 166287492
(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 60510046
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2030782
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 4807692
N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
CID 36520985
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 138994139
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone (CID 5125693) is (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone is Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(CCOc4cccc5ccccc45)CC3)cc12.
What is the InChIKey of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is FNHGEFCGTBPWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2S/c1-21-25-20-27(36-29(25)33(30-21)23-10-3-2-4-11-23)28(34)32-16-14-31(15-17-32)18-19-35-26-13-7-9-22-8-5-6-12-24(22)26/h2-13,20H,14-19H2,1H3.
What are the key properties of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone?
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 496.64 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 5125693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).