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

C19H15F3N4O — CID 121484269

IUPACN-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H15F3N4O/c20-13-3-1-12(2-4-13)15-10-23-26-8-7-25(11-18(15)26)19(27)24-14-5-6-16(21)17(22)9-14/h1-6,9-10H,7-8,11H2,(H,24,27)
InChIKeyQOUSYAFQKURZIU-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.02
Rot. Bonds2

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

N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484269) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484269
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H15F3N4O/c20-13-3-1-12(2-4-13)15-10-23-26-8-7-25(11-18(15)26)19(27)24-14-5-6-16(21)17(22)9-14/h1-6,9-10H,7-8,11H2,(H,24,27)
InChIKeyQOUSYAFQKURZIU-UHFFFAOYSA-N
XLogP4.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethynyl-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484340
3-(4-fluorophenyl)-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484513
5-N-(3,4-difluorophenyl)-3-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 162616186
N-(3-chlorophenyl)-3-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483950
3-(3-bromophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483809
2-(3,5-dichloro-4-fluorophenyl)-5-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085506
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
2-[3-(difluoromethyl)phenyl]-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 161097085
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyridin-4-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 156772475
N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484278
N-(3-chloro-4-fluorophenyl)-3-(3-cyanopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483810

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484269) is N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is QOUSYAFQKURZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-13-3-1-12(2-4-13)15-10-23-26-8-7-25(11-18(15)26)19(27)24-14-5-6-16(21)17(22)9-14/h1-6,9-10H,7-8,11H2,(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).