1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

C20H23FN4OS — CID 119529790

IUPAC1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)C1CCNC1
InChIInChI=1S/C20H23FN4OS/c1-3-10-24(16-8-9-22-12-16)19(26)18-11-17-13(2)23-25(20(17)27-18)15-6-4-14(21)5-7-15/h4-7,11,16,22H,3,8-10,12H2,1-2H3
InChIKeyIKWJHRVWSXIFNT-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 119529790) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID119529790
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)C1CCNC1
InChIInChI=1S/C20H23FN4OS/c1-3-10-24(16-8-9-22-12-16)19(26)18-11-17-13(2)23-25(20(17)27-18)15-6-4-14(21)5-7-15/h4-7,11,16,22H,3,8-10,12H2,1-2H3
InChIKeyIKWJHRVWSXIFNT-UHFFFAOYSA-N
XLogP3.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 119529790) is 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is CCCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)C1CCNC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IKWJHRVWSXIFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-3-10-24(16-8-9-22-12-16)19(26)18-11-17-13(2)23-25(20(17)27-18)15-6-4-14(21)5-7-15/h4-7,11,16,22H,3,8-10,12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 119529790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).