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

C21H17ClF3N5O3 — CID 118071117

IUPAC5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(OC(F)F)c(Cl)c1)CC2
InChIInChI=1S/C21H17ClF3N5O3/c22-14-9-13(4-5-16(14)33-20(24)25)27-21(32)29-6-7-30-15(10-29)17(19(26)31)18(28-30)11-2-1-3-12(23)8-11/h1-5,8-9,20H,6-7,10H2,(H2,26,31)(H,27,32)
InChIKeyIIILTOWGJJFCLB-UHFFFAOYSA-N
MW479.85 g/mol
LogP4.09
Rot. Bonds5

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

5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118071117) has the molecular formula C21H17ClF3N5O3 and a molecular weight of 479.85 g/mol. Its IUPAC name is 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118071117
Molecular FormulaC21H17ClF3N5O3
Molecular Weight479.85 g/mol
Exact Mass479.10
IUPAC Name5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(OC(F)F)c(Cl)c1)CC2
InChIInChI=1S/C21H17ClF3N5O3/c22-14-9-13(4-5-16(14)33-20(24)25)27-21(32)29-6-7-30-15(10-29)17(19(26)31)18(28-30)11-2-1-3-12(23)8-11/h1-5,8-9,20H,6-7,10H2,(H2,26,31)(H,27,32)
InChIKeyIIILTOWGJJFCLB-UHFFFAOYSA-N
XLogP4.09
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.85
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

tert-butyl 4-{4-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-(2,4-difluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
CID 16024038
US9598423, Example 58
CID 118061143
US9598423, Example 47
CID 118061275
US9598423, Example 73
CID 118061285
US9598423, Example 72
CID 118061876
US9598423, Example 160
CID 118061949
US9598423, Example 78
CID 118062361
US9598423, Example 37
CID 118062371
US9598423, Example 51
CID 118062716
US9598423, Example 89
CID 118071121
US9598423, Example 67
CID 118071230
US9598423, Example 66
CID 118071258

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118071117) is 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(OC(F)F)c(Cl)c1)CC2.
What is the InChIKey of 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is IIILTOWGJJFCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O3/c22-14-9-13(4-5-16(14)33-20(24)25)27-21(32)29-6-7-30-15(10-29)17(19(26)31)18(28-30)11-2-1-3-12(23)8-11/h1-5,8-9,20H,6-7,10H2,(H2,26,31)(H,27,32).
What are the key properties of 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 479.85 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118071117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).