N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C21H17FN4OS — CID 121484552

IUPACN-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1csc2ccccc12)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C21H17FN4OS/c22-15-7-5-14(6-8-15)17-11-23-26-10-9-25(12-19(17)26)21(27)24-18-13-28-20-4-2-1-3-16(18)20/h1-8,11,13H,9-10,12H2,(H,24,27)
InChIKeyLQVDSKZLOVTYOK-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.95
Rot. Bonds2

About N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484552) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484552
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC NameN-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1csc2ccccc12)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C21H17FN4OS/c22-15-7-5-14(6-8-15)17-11-23-26-10-9-25(12-19(17)26)21(27)24-18-13-28-20-4-2-1-3-16(18)20/h1-8,11,13H,9-10,12H2,(H,24,27)
InChIKeyLQVDSKZLOVTYOK-UHFFFAOYSA-N
XLogP4.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484552) is N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1csc2ccccc12)N1CCn2ncc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is LQVDSKZLOVTYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c22-15-7-5-14(6-8-15)17-11-23-26-10-9-25(12-19(17)26)21(27)24-18-13-28-20-4-2-1-3-16(18)20/h1-8,11,13H,9-10,12H2,(H,24,27).
What are the key properties of N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).