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

C20H22F3N5O2 — CID 118062433

IUPAC4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1C(C1CCC(F)(F)CC1)N(C(N)=O)CC2
InChIInChI=1S/C20H22F3N5O2/c21-13-3-1-2-12(10-13)15-14(18(24)29)17-16(11-4-6-20(22,23)7-5-11)27(19(25)30)8-9-28(17)26-15/h1-3,10-11,16H,4-9H2,(H2,24,29)(H2,25,30)
InChIKeySTBHZONZSAIBCT-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.05
Rot. Bonds3

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

4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062433) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062433
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1C(C1CCC(F)(F)CC1)N(C(N)=O)CC2
InChIInChI=1S/C20H22F3N5O2/c21-13-3-1-2-12(10-13)15-14(18(24)29)17-16(11-4-6-20(22,23)7-5-11)27(19(25)30)8-9-28(17)26-15/h1-3,10-11,16H,4-9H2,(H2,24,29)(H2,25,30)
InChIKeySTBHZONZSAIBCT-UHFFFAOYSA-N
XLogP3.05
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062431
4-[4-(difluoromethyl)-1-bicyclo[2.2.2]octanyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062205
4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118060743
2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062763
2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062623
4-tert-butyl-2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061783
methyl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate
CID 118061917
5-N-(1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069155
5-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069162
2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061928
4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639745
5-N-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069163

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062433) is 4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1C(C1CCC(F)(F)CC1)N(C(N)=O)CC2.
What is the InChIKey of 4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is STBHZONZSAIBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c21-13-3-1-2-12(10-13)15-14(18(24)29)17-16(11-4-6-20(22,23)7-5-11)27(19(25)30)8-9-28(17)26-15/h1-3,10-11,16H,4-9H2,(H2,24,29)(H2,25,30).
What are the key properties of 4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 421.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).