2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C19H19ClF3N5O2 — CID 123762503

IUPAC2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC1CCC1C(F)F)CC2
InChIInChI=1S/C19H19ClF3N5O2/c20-11-7-9(1-3-12(11)21)16-15(18(24)29)14-8-27(5-6-28(14)26-16)19(30)25-13-4-2-10(13)17(22)23/h1,3,7,10,13,17H,2,4-6,8H2,(H2,24,29)(H,25,30)
InChIKeyVUXKAUQPJSJCEU-UHFFFAOYSA-N
MW441.84 g/mol
LogP3.01
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 123762503) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID123762503
Molecular FormulaC19H19ClF3N5O2
Molecular Weight441.84 g/mol
Exact Mass441.12
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC1CCC1C(F)F)CC2
InChIInChI=1S/C19H19ClF3N5O2/c20-11-7-9(1-3-12(11)21)16-15(18(24)29)14-8-27(5-6-28(14)26-16)19(30)25-13-4-2-10(13)17(22)23/h1,3,7,10,13,17H,2,4-6,8H2,(H2,24,29)(H,25,30)
InChIKeyVUXKAUQPJSJCEU-UHFFFAOYSA-N
XLogP3.01
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluorophenyl)-5-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 138749230
2-(3-chloro-4-fluorophenyl)-5-N-(3-methylsulfonylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061980
2-(3-chloro-4-fluorophenyl)-5-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062853
2-(3-chloro-4-fluorophenyl)-5-N-(1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123662925
2-(3-chloro-4-fluorophenyl)-5-N-[2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071142
2-(3-chloro-4-fluorophenyl)-5-N-(4-fluoro-2-methylpentan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118087454
2-(3-chloro-4-fluorophenyl)-5-N-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650830
2-(3-chloro-4-fluorophenyl)-5-N-(3-fluoro-1,3-dimethylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061452
5-amino-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 144845127
2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061757
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085690
2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061732

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 123762503) is 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC1CCC1C(F)F)CC2.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is VUXKAUQPJSJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c20-11-7-9(1-3-12(11)21)16-15(18(24)29)14-8-27(5-6-28(14)26-16)19(30)25-13-4-2-10(13)17(22)23/h1,3,7,10,13,17H,2,4-6,8H2,(H2,24,29)(H,25,30).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 441.84 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 123762503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).