2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C19H21ClFN5O2 — CID 118071183

IUPAC2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(F)CC(NC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)C1
InChIInChI=1S/C19H21ClFN5O2/c1-19(21)8-13(9-19)23-18(28)25-5-6-26-14(10-25)15(17(22)27)16(24-26)11-3-2-4-12(20)7-11/h2-4,7,13H,5-6,8-10H2,1H3,(H2,22,27)(H,23,28)
InChIKeyBEYBOAAIBWKKRO-UHFFFAOYSA-N
MW405.86 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118071183) has the molecular formula C19H21ClFN5O2 and a molecular weight of 405.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118071183
Molecular FormulaC19H21ClFN5O2
Molecular Weight405.86 g/mol
Exact Mass405.14
IUPAC Name2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(F)CC(NC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)C1
InChIInChI=1S/C19H21ClFN5O2/c1-19(21)8-13(9-19)23-18(28)25-5-6-26-14(10-25)15(17(22)27)16(24-26)11-3-2-4-12(20)7-11/h2-4,7,13H,5-6,8-10H2,1H3,(H2,22,27)(H,23,28)
InChIKeyBEYBOAAIBWKKRO-UHFFFAOYSA-N
XLogP2.72
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-5-N-(3-methylsulfonylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062870
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-chlorophenyl)-5-N-(1-hydroxy-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062214
2-(3-chlorophenyl)-5-[3-(3,3-difluorocyclobutyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 160903423
2-(3-chlorophenyl)-5-N-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061426
methyl 4-[[3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]amino]piperidine-1-carboxylate
CID 118061917
2-(3-chlorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062081
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-[2-(1-bicyclo[2.2.2]octanyl)acetyl]-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 162034082
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-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 162100467
2-(3-chlorophenyl)-5-N-[1-(4-cyanophenyl)-3,3-difluorocyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071310

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118071183) is 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC1(F)CC(NC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is BEYBOAAIBWKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O2/c1-19(21)8-13(9-19)23-18(28)25-5-6-26-14(10-25)15(17(22)27)16(24-26)11-3-2-4-12(20)7-11/h2-4,7,13H,5-6,8-10H2,1H3,(H2,22,27)(H,23,28).
What are the key properties of 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 405.86 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118071183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).