5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane

C38H49F3N10O4 — CID 144845065

IUPAC5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane
SMILESCC.CC(C)(C)NC(=O)N1CCn2nc(-c3ccc(F)c(F)c3)c(C(N)=O)c2C1.CC(C)(C)NC(=O)N1CCn2nc(-c3ccccc3F)c(C(N)=O)c2C1
InChIInChI=1S/C18H21F2N5O2.C18H22FN5O2.C2H6/c1-18(2,3)22-17(27)24-6-7-25-13(9-24)14(16(21)26)15(23-25)10-4-5-11(19)12(20)8-10;1-18(2,3)21-17(26)23-8-9-24-13(10-23)14(16(20)25)15(22-24)11-6-4-5-7-12(11)19;1-2/h4-5,8H,6-7,9H2,1-3H3,(H2,21,26)(H,22,27);4-7H,8-10H2,1-3H3,(H2,20,25)(H,21,26);1-2H3
InChIKeyJSCKLJKDHHMXAK-UHFFFAOYSA-N
MW766.87 g/mol
LogP5.39
Rot. Bonds4

About 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane

5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane (PubChem CID 144845065) has the molecular formula C38H49F3N10O4 and a molecular weight of 766.87 g/mol. Its IUPAC name is 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane.

Molecular Properties

Compound Name5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane
PubChem CID144845065
Molecular FormulaC38H49F3N10O4
Molecular Weight766.87 g/mol
Exact Mass766.39
IUPAC Name5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane
SMILESCC.CC(C)(C)NC(=O)N1CCn2nc(-c3ccc(F)c(F)c3)c(C(N)=O)c2C1.CC(C)(C)NC(=O)N1CCn2nc(-c3ccccc3F)c(C(N)=O)c2C1
InChIInChI=1S/C18H21F2N5O2.C18H22FN5O2.C2H6/c1-18(2,3)22-17(27)24-6-7-25-13(9-24)14(16(21)26)15(23-25)10-4-5-11(19)12(20)8-10;1-18(2,3)21-17(26)23-8-9-24-13(10-23)14(16(20)25)15(22-24)11-6-4-5-7-12(11)19;1-2/h4-5,8H,6-7,9H2,1-3H3,(H2,21,26)(H,22,27);4-7H,8-10H2,1-3H3,(H2,20,25)(H,21,26);1-2H3
InChIKeyJSCKLJKDHHMXAK-UHFFFAOYSA-N
XLogP5.39
TPSA186.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.87
LogP ≤ 55.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9598423, Example 108
CID 118071186
US9598423, Example 6
CID 91758754
US9598423, Example 101
CID 118061479
US9598423, Example 100
CID 118061527
US9598423, Example 17
CID 118061674
US9598423, Example 81
CID 118061879
US9598423, Example 99
CID 118061917
US9598423, Example 62
CID 118061928
US9598423, Example 21
CID 118061946
US9598423, Example 40
CID 118061997
US9598423, Example 20
CID 118062150
US9598423, Example 14
CID 118062158

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane?
The IUPAC name of 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane (CID 144845065) is 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane.
What is the SMILES notation for 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane?
The canonical SMILES for 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane is CC.CC(C)(C)NC(=O)N1CCn2nc(-c3ccc(F)c(F)c3)c(C(N)=O)c2C1.CC(C)(C)NC(=O)N1CCn2nc(-c3ccccc3F)c(C(N)=O)c2C1.
What is the InChIKey of 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane?
The InChIKey is JSCKLJKDHHMXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2.C18H22FN5O2.C2H6/c1-18(2,3)22-17(27)24-6-7-25-13(9-24)14(16(21)26)15(23-25)10-4-5-11(19)12(20)8-10;1-18(2,3)21-17(26)23-8-9-24-13(10-23)14(16(20)25)15(22-24)11-6-4-5-7-12(11)19;1-2/h4-5,8H,6-7,9H2,1-3H3,(H2,21,26)(H,22,27);4-7H,8-10H2,1-3H3,(H2,20,25)(H,21,26);1-2H3.
What are the key properties of 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane?
5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane has a molecular weight of 766.87 g/mol, XLogP of 5.39, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-N-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;ethane is sourced from PubChem (CID 144845065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).