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

C19H22N4OS — CID 51314771

IUPAC(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCN(C)CC3c3ccccc3)cc12
InChIInChI=1S/C19H22N4OS/c1-13-15-11-17(25-19(15)22(3)20-13)18(24)23-10-9-21(2)12-16(23)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3
InChIKeyREJSJYVYZVWPDA-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.07
Rot. Bonds2

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

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 51314771) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID51314771
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCN(C)CC3c3ccccc3)cc12
InChIInChI=1S/C19H22N4OS/c1-13-15-11-17(25-19(15)22(3)20-13)18(24)23-10-9-21(2)12-16(23)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3
InChIKeyREJSJYVYZVWPDA-UHFFFAOYSA-N
XLogP3.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 51314771) is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is Cc1nn(C)c2sc(C(=O)N3CCN(C)CC3c3ccccc3)cc12.
What is the InChIKey of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is REJSJYVYZVWPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13-15-11-17(25-19(15)22(3)20-13)18(24)23-10-9-21(2)12-16(23)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3.
What are the key properties of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 354.48 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 51314771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).