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

C25H25ClN6O2 — CID 118085458

IUPAC5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)ccc1C#N
InChIInChI=1S/C25H25ClN6O2/c1-25(2,3)19-12-18(8-7-16(19)13-27)29-24(34)31-9-10-32-20(14-31)21(23(28)33)22(30-32)15-5-4-6-17(26)11-15/h4-8,11-12H,9-10,14H2,1-3H3,(H2,28,33)(H,29,34)
InChIKeyNKGYVFNDEJROCH-UHFFFAOYSA-N
MW476.97 g/mol
LogP4.52
Rot. Bonds3

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

5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118085458) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118085458
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC Name5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)ccc1C#N
InChIInChI=1S/C25H25ClN6O2/c1-25(2,3)19-12-18(8-7-16(19)13-27)29-24(34)31-9-10-32-20(14-31)21(23(28)33)22(30-32)15-5-4-6-17(26)11-15/h4-8,11-12H,9-10,14H2,1-3H3,(H2,28,33)(H,29,34)
InChIKeyNKGYVFNDEJROCH-UHFFFAOYSA-N
XLogP4.52
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118085458) is 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)c1cc(NC(=O)N2CCn3nc(-c4cccc(Cl)c4)c(C(N)=O)c3C2)ccc1C#N.
What is the InChIKey of 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is NKGYVFNDEJROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-25(2,3)19-12-18(8-7-16(19)13-27)29-24(34)31-9-10-32-20(14-31)21(23(28)33)22(30-32)15-5-4-6-17(26)11-15/h4-8,11-12H,9-10,14H2,1-3H3,(H2,28,33)(H,29,34).
What are the key properties of 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 476.97 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-tert-butyl-4-cyanophenyl)-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118085458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).