5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C20H16Cl2N4O2 — CID 134788704

IUPAC5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C20H16Cl2N4O2/c21-14-6-7-17(16(22)10-14)24-19(27)15-11-23-26-9-8-25(12-18(15)26)20(28)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,24,27)
InChIKeyPOQAZLSBHBTVRH-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.10
Rot. Bonds3

About 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134788704) has the molecular formula C20H16Cl2N4O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID134788704
Molecular FormulaC20H16Cl2N4O2
Molecular Weight415.28 g/mol
Exact Mass414.07
IUPAC Name5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C20H16Cl2N4O2/c21-14-6-7-17(16(22)10-14)24-19(27)15-11-23-26-9-8-25(12-18(15)26)20(28)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,24,27)
InChIKeyPOQAZLSBHBTVRH-UHFFFAOYSA-N
XLogP4.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 134788704) is 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1CN(C(=O)c1ccccc1)CC2.
What is the InChIKey of 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is POQAZLSBHBTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2/c21-14-6-7-17(16(22)10-14)24-19(27)15-11-23-26-9-8-25(12-18(15)26)20(28)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,24,27).
What are the key properties of 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 415.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134788704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).