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

C20H23FN4OS — CID 4807692

IUPAC[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CC1
InChIInChI=1S/C20H23FN4OS/c1-3-8-23-9-11-24(12-10-23)19(26)18-13-17-14(2)22-25(20(17)27-18)16-6-4-15(21)5-7-16/h4-7,13H,3,8-12H2,1-2H3
InChIKeyOSVICBRMPYRVML-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.70
Rot. Bonds4

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

[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 4807692) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID4807692
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC Name[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CC1
InChIInChI=1S/C20H23FN4OS/c1-3-8-23-9-11-24(12-10-23)19(26)18-13-17-14(2)22-25(20(17)27-18)16-6-4-15(21)5-7-16/h4-7,13H,3,8-12H2,1-2H3
InChIKeyOSVICBRMPYRVML-UHFFFAOYSA-N
XLogP3.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2018052
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119516664
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 9148223
[4-[(4-chlorophenoxy)methyl]piperazin-1-yl]-[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 2023696
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 18277666
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2037070
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 2022597
(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003814
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone
CID 5125693
(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17458444

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone (CID 4807692) is [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is OSVICBRMPYRVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-3-8-23-9-11-24(12-10-23)19(26)18-13-17-14(2)22-25(20(17)27-18)16-6-4-15(21)5-7-16/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone?
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 4807692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).