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

C20H23FN4OS — CID 17458444

IUPAC(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1
InChIInChI=1S/C20H23FN4OS/c1-3-23-8-10-24(11-9-23)19(26)18-12-17-14(2)22-25(20(17)27-18)13-15-4-6-16(21)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyFLLHIRAVWZBNEQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.37
Rot. Bonds4

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

(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 17458444) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID17458444
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC Name(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1
InChIInChI=1S/C20H23FN4OS/c1-3-23-8-10-24(11-9-23)19(26)18-12-17-14(2)22-25(20(17)27-18)13-15-4-6-16(21)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyFLLHIRAVWZBNEQ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (CID 17458444) is (4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is CCN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is FLLHIRAVWZBNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-3-23-8-10-24(11-9-23)19(26)18-12-17-14(2)22-25(20(17)27-18)13-15-4-6-16(21)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 17458444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).