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

C20H15Cl2FN4O2 — CID 134791355

IUPACN-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C20H15Cl2FN4O2/c21-12-5-6-17(15(22)9-12)25-19(28)14-10-24-27-8-7-26(11-18(14)27)20(29)13-3-1-2-4-16(13)23/h1-6,9-10H,7-8,11H2,(H,25,28)
InChIKeyFQLOCLJCEZOJGR-UHFFFAOYSA-N
MW433.27 g/mol
LogP4.24
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134791355) has the molecular formula C20H15Cl2FN4O2 and a molecular weight of 433.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID134791355
Molecular FormulaC20H15Cl2FN4O2
Molecular Weight433.27 g/mol
Exact Mass432.06
IUPAC NameN-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C20H15Cl2FN4O2/c21-12-5-6-17(15(22)9-12)25-19(28)14-10-24-27-8-7-26(11-18(14)27)20(29)13-3-1-2-4-16(13)23/h1-6,9-10H,7-8,11H2,(H,25,28)
InChIKeyFQLOCLJCEZOJGR-UHFFFAOYSA-N
XLogP4.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46175112
N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 44522087
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 44270432
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(2,6-difluorophenyl)methanone
CID 44426948
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(2,6-dichlorophenyl)methanone
CID 44426949
N-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882570
N-(2-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882615
N-(2-chlorophenyl)-5-(dimethylamino)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882616
N-(2-chlorophenyl)-5-(piperidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882619
N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
CID 121317981
2-[4-(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 16324111
5-(4-Chlorophenyl)-N-cyclopropyl-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 25185396

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 134791355) is N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is FQLOCLJCEZOJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN4O2/c21-12-5-6-17(15(22)9-12)25-19(28)14-10-24-27-8-7-26(11-18(14)27)20(29)13-3-1-2-4-16(13)23/h1-6,9-10H,7-8,11H2,(H,25,28).
What are the key properties of N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 433.27 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-(2-fluorobenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134791355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).