N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide

C19H16FN3O2S — CID 5235402

IUPACN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C19H16FN3O2S/c1-25-17-5-3-2-4-14(17)19(24)21-18-15-10-26-11-16(15)22-23(18)13-8-6-12(20)7-9-13/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyFRQFPAYTUUTMFN-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.02
Rot. Bonds4

About N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide

N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 5235402) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID5235402
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC NameN-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C19H16FN3O2S/c1-25-17-5-3-2-4-14(17)19(24)21-18-15-10-26-11-16(15)22-23(18)13-8-6-12(20)7-9-13/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyFRQFPAYTUUTMFN-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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Related Compounds

2,3-dimethoxy-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 3326950
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 4623702
2-fluoro-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4098169
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide
CID 5136320
2,6-difluoro-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3335857
2-iodo-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3395367
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methoxybenzamide
CID 3495488
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbenzamide
CID 3373388
2,3-dimethoxy-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4621831
4-bromo-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4183394
3,5-dichloro-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030713
3,4-dimethoxy-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4087525

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide (CID 5235402) is N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2.
What is the InChIKey of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is FRQFPAYTUUTMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-25-17-5-3-2-4-14(17)19(24)21-18-15-10-26-11-16(15)22-23(18)13-8-6-12(20)7-9-13/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide 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 N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 5235402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).