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

C25H25N3OS — CID 2021812

IUPAC(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C25H25N3OS/c1-18-22-17-23(30-25(22)28(26-18)21-10-6-3-7-11-21)24(29)27-14-12-20(13-15-27)16-19-8-4-2-5-9-19/h2-11,17,20H,12-16H2,1H3
InChIKeyYXYOLAOHTJFJTP-UHFFFAOYSA-N
MW415.56 g/mol
LogP5.49
Rot. Bonds4

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

(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 2021812) has the molecular formula C25H25N3OS and a molecular weight of 415.56 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID2021812
Molecular FormulaC25H25N3OS
Molecular Weight415.56 g/mol
Exact Mass415.17
IUPAC Name(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C25H25N3OS/c1-18-22-17-23(30-25(22)28(26-18)21-10-6-3-7-11-21)24(29)27-14-12-20(13-15-27)16-19-8-4-2-5-9-19/h2-11,17,20H,12-16H2,1H3
InChIKeyYXYOLAOHTJFJTP-UHFFFAOYSA-N
XLogP5.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone (CID 2021812) is (4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone is Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is YXYOLAOHTJFJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3OS/c1-18-22-17-23(30-25(22)28(26-18)21-10-6-3-7-11-21)24(29)27-14-12-20(13-15-27)16-19-8-4-2-5-9-19/h2-11,17,20H,12-16H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone?
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 415.56 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 2021812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).