2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine

C38H43Cl2F4N9O3 — CID 158390347

IUPAC2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine
SMILESCC1CN(C(=O)CC2CC(F)(F)C2)Cc2c(C(N)=O)c(-c3cccc(Cl)c3)nn21.CC1CNCc2c(C(N)=O)c(-c3cccc(Cl)c3)nn21.NC1CC(F)(F)C1
InChIInChI=1S/C20H21ClF2N4O2.C14H15ClN4O.C4H7F2N/c1-11-9-26(16(28)5-12-7-20(22,23)8-12)10-15-17(19(24)29)18(25-27(11)15)13-3-2-4-14(21)6-13;1-8-6-17-7-11-12(14(16)20)13(18-19(8)11)9-3-2-4-10(15)5-9;5-4(6)1-3(7)2-4/h2-4,6,11-12H,5,7-10H2,1H3,(H2,24,29);2-5,8,17H,6-7H2,1H3,(H2,16,20);3H,1-2,7H2
InChIKeyGWWOQCPTDXAQLM-UHFFFAOYSA-N
MW820.72 g/mol
LogP6.35
Rot. Bonds6

About 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine

2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine (PubChem CID 158390347) has the molecular formula C38H43Cl2F4N9O3 and a molecular weight of 820.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine
PubChem CID158390347
Molecular FormulaC38H43Cl2F4N9O3
Molecular Weight820.72 g/mol
Exact Mass819.28
IUPAC Name2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine
SMILESCC1CN(C(=O)CC2CC(F)(F)C2)Cc2c(C(N)=O)c(-c3cccc(Cl)c3)nn21.CC1CNCc2c(C(N)=O)c(-c3cccc(Cl)c3)nn21.NC1CC(F)(F)C1
InChIInChI=1S/C20H21ClF2N4O2.C14H15ClN4O.C4H7F2N/c1-11-9-26(16(28)5-12-7-20(22,23)8-12)10-15-17(19(24)29)18(25-27(11)15)13-3-2-4-14(21)6-13;1-8-6-17-7-11-12(14(16)20)13(18-19(8)11)9-3-2-4-10(15)5-9;5-4(6)1-3(7)2-4/h2-4,6,11-12H,5,7-10H2,1H3,(H2,24,29);2-5,8,17H,6-7H2,1H3,(H2,16,20);3H,1-2,7H2
InChIKeyGWWOQCPTDXAQLM-UHFFFAOYSA-N
XLogP6.35
TPSA180.18 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.72
LogP ≤ 56.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine with MolForge

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Related Compounds

US9598423, Example A11
CID 122650867
US9598423, Example A10
CID 122650986
US20250059185, Example 46
CID 168934688
US20250059185, Example 44
CID 168934788
US20250059185, Example 45
CID 168935055
(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
2-(3-chloro-4-fluorophenyl)-5-N-[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118060641
2-(3-chlorophenyl)-5-N-(1,1-difluoro-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
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4-(3,5-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061288
2-(3-chloro-4-fluorophenyl)-5-N-[(1R,2S)-2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061389
3-N-(azetidin-3-yl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061400
4-(azetidin-3-yl)-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061402

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine (CID 158390347) is 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine is CC1CN(C(=O)CC2CC(F)(F)C2)Cc2c(C(N)=O)c(-c3cccc(Cl)c3)nn21.CC1CNCc2c(C(N)=O)c(-c3cccc(Cl)c3)nn21.NC1CC(F)(F)C1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine?
The InChIKey is GWWOQCPTDXAQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N4O2.C14H15ClN4O.C4H7F2N/c1-11-9-26(16(28)5-12-7-20(22,23)8-12)10-15-17(19(24)29)18(25-27(11)15)13-3-2-4-14(21)6-13;1-8-6-17-7-11-12(14(16)20)13(18-19(8)11)9-3-2-4-10(15)5-9;5-4(6)1-3(7)2-4/h2-4,6,11-12H,5,7-10H2,1H3,(H2,24,29);2-5,8,17H,6-7H2,1H3,(H2,16,20);3H,1-2,7H2.
What are the key properties of 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine?
2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine has a molecular weight of 820.72 g/mol, XLogP of 6.35, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chlorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;3,3-difluorocyclobutan-1-amine is sourced from PubChem (CID 158390347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).