3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C19H16FN3O2S — CID 4148451

IUPAC3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)cc1
InChIInChI=1S/C19H16FN3O2S/c1-25-15-7-5-14(6-8-15)23-18(16-10-26-11-17(16)22-23)21-19(24)12-3-2-4-13(20)9-12/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyZVTVHNNFHGNAEW-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.02
Rot. Bonds4

About 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 4148451) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
PubChem CID4148451
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)cc1
InChIInChI=1S/C19H16FN3O2S/c1-25-15-7-5-14(6-8-15)23-18(16-10-26-11-17(16)22-23)21-19(24)12-3-2-4-13(20)9-12/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyZVTVHNNFHGNAEW-UHFFFAOYSA-N
XLogP4.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 4148451) is 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is COc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)cc1.
What is the InChIKey of 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is ZVTVHNNFHGNAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-25-15-7-5-14(6-8-15)23-18(16-10-26-11-17(16)22-23)21-19(24)12-3-2-4-13(20)9-12/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 4148451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).