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

C23H21ClN4OS — CID 5308860

IUPAC[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21
InChIInChI=1S/C23H21ClN4OS/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/h2-10,15H,11-14H2,1H3
InChIKeyFPYHKMUGDKAWHQ-UHFFFAOYSA-N
MW436.97 g/mol
LogP4.92
Rot. Bonds3

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

[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 5308860) has the molecular formula C23H21ClN4OS and a molecular weight of 436.97 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID5308860
Molecular FormulaC23H21ClN4OS
Molecular Weight436.97 g/mol
Exact Mass436.11
IUPAC Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21
InChIInChI=1S/C23H21ClN4OS/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/h2-10,15H,11-14H2,1H3
InChIKeyFPYHKMUGDKAWHQ-UHFFFAOYSA-N
XLogP4.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 5308860) is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-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-phenylpiperazin-1-yl)methanone?
The InChIKey is FPYHKMUGDKAWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4OS/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/h2-10,15H,11-14H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 436.97 g/mol, XLogP of 4.92, 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-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 5308860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).