N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C23H20FN3O3S — CID 20857609

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20FN3O3S/c1-13(14-7-8-18-19(11-14)30-10-9-29-18)25-22(28)20-12-16-21(26-27(2)23(16)31-20)15-5-3-4-6-17(15)24/h3-8,11-13H,9-10H2,1-2H3,(H,25,28)
InChIKeyFFQIIJPSXJXQIL-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.70
Rot. Bonds4

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 20857609) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID20857609
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20FN3O3S/c1-13(14-7-8-18-19(11-14)30-10-9-29-18)25-22(28)20-12-16-21(26-27(2)23(16)31-20)15-5-3-4-6-17(15)24/h3-8,11-13H,9-10H2,1-2H3,(H,25,28)
InChIKeyFFQIIJPSXJXQIL-UHFFFAOYSA-N
XLogP4.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51324007
4,5-dibromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-carboxamide
CID 55360616
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-fluorobenzamide
CID 4653721
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55580755
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-difluorobenzamide
CID 78803541
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 18158025
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39911913
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-9-oxofluorene-2-carboxamide
CID 16613066
N-[(1R)-1-(3-chlorophenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 25488173
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 94139427
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18143477
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43067824

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 20857609) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is CC(NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FFQIIJPSXJXQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-13(14-7-8-18-19(11-14)30-10-9-29-18)25-22(28)20-12-16-21(26-27(2)23(16)31-20)15-5-3-4-6-17(15)24/h3-8,11-13H,9-10H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 20857609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).