3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C21H20FN3O2S — CID 5309489

IUPAC3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
InChIInChI=1S/C21H20FN3O2S/c1-13(9-10-14-6-5-11-27-14)23-20(26)18-12-16-19(24-25(2)21(16)28-18)15-7-3-4-8-17(15)22/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)
InChIKeyKARLYZSGZJXDIP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.78
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide

3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 5309489) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID5309489
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
InChIInChI=1S/C21H20FN3O2S/c1-13(9-10-14-6-5-11-27-14)23-20(26)18-12-16-19(24-25(2)21(16)28-18)15-7-3-4-8-17(15)22/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)
InChIKeyKARLYZSGZJXDIP-UHFFFAOYSA-N
XLogP4.78
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 5309489) is 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is CC(CCc1ccco1)NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is KARLYZSGZJXDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-13(9-10-14-6-5-11-27-14)23-20(26)18-12-16-19(24-25(2)21(16)28-18)15-7-3-4-8-17(15)22/h3-8,11-13H,9-10H2,1-2H3,(H,23,26).
What are the key properties of 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 5309489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).