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

C19H20ClF2N5O2 — CID 118061477

IUPAC2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)NCC1CC(F)(F)C1)CC2
InChIInChI=1S/C19H20ClF2N5O2/c20-13-3-1-2-12(6-13)16-15(17(23)28)14-10-26(4-5-27(14)25-16)18(29)24-9-11-7-19(21,22)8-11/h1-3,6,11H,4-5,7-10H2,(H2,23,28)(H,24,29)
InChIKeyJIJJBUZHXOMLGW-UHFFFAOYSA-N
MW423.85 g/mol
LogP2.87
Rot. Bonds4

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

2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061477) has the molecular formula C19H20ClF2N5O2 and a molecular weight of 423.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061477
Molecular FormulaC19H20ClF2N5O2
Molecular Weight423.85 g/mol
Exact Mass423.13
IUPAC Name2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)NCC1CC(F)(F)C1)CC2
InChIInChI=1S/C19H20ClF2N5O2/c20-13-3-1-2-12(6-13)16-15(17(23)28)14-10-26(4-5-27(14)25-16)18(29)24-9-11-7-19(21,22)8-11/h1-3,6,11H,4-5,7-10H2,(H2,23,28)(H,24,29)
InChIKeyJIJJBUZHXOMLGW-UHFFFAOYSA-N
XLogP2.87
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

US9598423, Example 108
CID 118071186
6-chloro-7-(3-fluorophenyl)-2-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 54761631
6-chloro-7-phenyl-2-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 89486302
6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 89486363
US9598423, Example 6
CID 91758754
US9598423, Example 167
CID 118061426
US9598423, Example 101
CID 118061479
US9598423, Example 156
CID 118061644
US9598423, Example 17
CID 118061674
US9598423, Example 162
CID 118061909
US9598423, Example 99
CID 118061917
US9598423, Example 21
CID 118061946

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061477) is 2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)NCC1CC(F)(F)C1)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is JIJJBUZHXOMLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N5O2/c20-13-3-1-2-12(6-13)16-15(17(23)28)14-10-26(4-5-27(14)25-16)18(29)24-9-11-7-19(21,22)8-11/h1-3,6,11H,4-5,7-10H2,(H2,23,28)(H,24,29).
What are the key properties of 2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 423.85 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-[(3,3-difluorocyclobutyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).