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

C18H20ClF2N5O2 — CID 118061208

IUPAC2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2nc(-c3cccc(Cl)c3)c(C(N)=O)c2C1)C(F)F
InChIInChI=1S/C18H20ClF2N5O2/c1-18(2,16(20)21)23-17(28)25-6-7-26-12(9-25)13(15(22)27)14(24-26)10-4-3-5-11(19)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H2,22,27)(H,23,28)
InChIKeyMDTFWJYBKRNYLK-UHFFFAOYSA-N
MW411.84 g/mol
LogP2.87
Rot. Bonds4

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

2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061208) has the molecular formula C18H20ClF2N5O2 and a molecular weight of 411.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061208
Molecular FormulaC18H20ClF2N5O2
Molecular Weight411.84 g/mol
Exact Mass411.13
IUPAC Name2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2nc(-c3cccc(Cl)c3)c(C(N)=O)c2C1)C(F)F
InChIInChI=1S/C18H20ClF2N5O2/c1-18(2,16(20)21)23-17(28)25-6-7-26-12(9-25)13(15(22)27)14(24-26)10-4-3-5-11(19)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H2,22,27)(H,23,28)
InChIKeyMDTFWJYBKRNYLK-UHFFFAOYSA-N
XLogP2.87
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.84
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061208) is 2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(NC(=O)N1CCn2nc(-c3cccc(Cl)c3)c(C(N)=O)c2C1)C(F)F.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MDTFWJYBKRNYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N5O2/c1-18(2,16(20)21)23-17(28)25-6-7-26-12(9-25)13(15(22)27)14(24-26)10-4-3-5-11(19)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H2,22,27)(H,23,28).
What are the key properties of 2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 411.84 g/mol, XLogP of 2.87, 4 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-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).