(7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C19H18Cl2F3N5O2 — CID 91758310

IUPAC(7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CN(C(=O)NC1CC(F)(F)C1)C[C@@H]2CF
InChIInChI=1S/C19H18Cl2F3N5O2/c20-12-2-1-9(3-13(12)21)16-15(17(25)30)14-8-28(7-11(6-22)29(14)27-16)18(31)26-10-4-19(23,24)5-10/h1-3,10-11H,4-8H2,(H2,25,30)(H,26,31)/t11-/m0/s1
InChIKeyPBGCHJZTLKZHOK-NSHDSACASA-N
MW476.29 g/mol
LogP3.79
Rot. Bonds4

About (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

(7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 91758310) has the molecular formula C19H18Cl2F3N5O2 and a molecular weight of 476.29 g/mol. Its IUPAC name is (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name(7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID91758310
Molecular FormulaC19H18Cl2F3N5O2
Molecular Weight476.29 g/mol
Exact Mass475.08
IUPAC Name(7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CN(C(=O)NC1CC(F)(F)C1)C[C@@H]2CF
InChIInChI=1S/C19H18Cl2F3N5O2/c20-12-2-1-9(3-13(12)21)16-15(17(25)30)14-8-28(7-11(6-22)29(14)27-16)18(31)26-10-4-19(23,24)5-10/h1-3,10-11H,4-8H2,(H2,25,30)(H,26,31)/t11-/m0/s1
InChIKeyPBGCHJZTLKZHOK-NSHDSACASA-N
XLogP3.79
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.29
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 91758310) is (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CN(C(=O)NC1CC(F)(F)C1)C[C@@H]2CF.
What is the InChIKey of (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is PBGCHJZTLKZHOK-NSHDSACASA-N. The full InChI is InChI=1S/C19H18Cl2F3N5O2/c20-12-2-1-9(3-13(12)21)16-15(17(25)30)14-8-28(7-11(6-22)29(14)27-16)18(31)26-10-4-19(23,24)5-10/h1-3,10-11H,4-8H2,(H2,25,30)(H,26,31)/t11-/m0/s1.
What are the key properties of (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
(7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 476.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(3,4-dichlorophenyl)-5-N-(3,3-difluorocyclobutyl)-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 91758310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).