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

C15H14Cl2N4O2 — CID 134791140

IUPAC5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(=O)N1CCn2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c2C1
InChIInChI=1S/C15H14Cl2N4O2/c1-9(22)20-4-5-21-14(8-20)11(7-18-21)15(23)19-13-3-2-10(16)6-12(13)17/h2-3,6-7H,4-5,8H2,1H3,(H,19,23)
InChIKeyWTWIORQRWBKGRM-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.80
Rot. Bonds2

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

5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134791140) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID134791140
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(=O)N1CCn2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c2C1
InChIInChI=1S/C15H14Cl2N4O2/c1-9(22)20-4-5-21-14(8-20)11(7-18-21)15(23)19-13-3-2-10(16)6-12(13)17/h2-3,6-7H,4-5,8H2,1H3,(H,19,23)
InChIKeyWTWIORQRWBKGRM-UHFFFAOYSA-N
XLogP2.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1490704
N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850671
N-(3-chlorophenyl)-1-ethyl-5-methyl-4-pyrazolecarboxamide
CID 832064
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892997
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 832071
2-[4-(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 16324111
5-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 24816774
1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-5H-pyrazolo[4,5-c]pyridin-4-one
CID 145965666
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 168283878
N4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 2807776
4-(2-Chlorophenyl)piperazinyl 1-methylpyrazol-5-yl ketone
CID 6468388
US9598423, Example 43
CID 118069171

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 134791140) is 5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is CC(=O)N1CCn2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c2C1.
What is the InChIKey of 5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is WTWIORQRWBKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-9(22)20-4-5-21-14(8-20)11(7-18-21)15(23)19-13-3-2-10(16)6-12(13)17/h2-3,6-7H,4-5,8H2,1H3,(H,19,23).
What are the key properties of 5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(2,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134791140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).