[1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C22H19F3N4OS2 — CID 17026367

IUPAC[1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H19F3N4OS2/c23-22(24,25)19-17-13-18(32-21(17)29(26-19)15-5-2-1-3-6-15)20(30)28-10-8-27(9-11-28)14-16-7-4-12-31-16/h1-7,12-13H,8-11,14H2
InChIKeyOAIPJNCRQJKSQR-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.13
Rot. Bonds4

About [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

[1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 17026367) has the molecular formula C22H19F3N4OS2 and a molecular weight of 476.55 g/mol. Its IUPAC name is [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID17026367
Molecular FormulaC22H19F3N4OS2
Molecular Weight476.55 g/mol
Exact Mass476.10
IUPAC Name[1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H19F3N4OS2/c23-22(24,25)19-17-13-18(32-21(17)29(26-19)15-5-2-1-3-6-15)20(30)28-10-8-27(9-11-28)14-16-7-4-12-31-16/h1-7,12-13H,8-11,14H2
InChIKeyOAIPJNCRQJKSQR-UHFFFAOYSA-N
XLogP5.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-[1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 29097932
[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 29097028
[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 19616975
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 29096823
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 29097491
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 29096822
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2008259
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 9148223
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
CID 36520985

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 17026367) is [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is OAIPJNCRQJKSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4OS2/c23-22(24,25)19-17-13-18(32-21(17)29(26-19)15-5-2-1-3-6-15)20(30)28-10-8-27(9-11-28)14-16-7-4-12-31-16/h1-7,12-13H,8-11,14H2.
What are the key properties of [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
[1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 476.55 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17026367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).