5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C17H17F3N4O2 — CID 145008215

IUPAC5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCC(F)(F)c1ccc(N2CC(C)n3ncc(C(N)=O)c3C2=O)cc1F
InChIInChI=1S/C17H17F3N4O2/c1-3-17(19,20)12-5-4-10(6-13(12)18)23-8-9(2)24-14(16(23)26)11(7-22-24)15(21)25/h4-7,9H,3,8H2,1-2H3,(H2,21,25)
InChIKeyZHMANFXBPZUIMG-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.84
Rot. Bonds4

About 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 145008215) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID145008215
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCC(F)(F)c1ccc(N2CC(C)n3ncc(C(N)=O)c3C2=O)cc1F
InChIInChI=1S/C17H17F3N4O2/c1-3-17(19,20)12-5-4-10(6-13(12)18)23-8-9(2)24-14(16(23)26)11(7-22-24)15(21)25/h4-7,9H,3,8H2,1-2H3,(H2,21,25)
InChIKeyZHMANFXBPZUIMG-UHFFFAOYSA-N
XLogP2.84
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694283
(7S)-5-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 118700930
ethyl (7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate;sulfane
CID 161351817
N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 140801502
N-[(7S)-5-[3-fluoro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide
CID 118693752
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-N-(5-fluoro-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694288
(7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157464013
5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 145008195
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-N-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane
CID 158547915
(7S)-N-(5-fluoro-3-pyridinyl)-5-[3-methoxy-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694232
(7S)-3-(aminomethyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118700910
(7S)-5-[4-(difluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 174162544

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 145008215) is 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is CCC(F)(F)c1ccc(N2CC(C)n3ncc(C(N)=O)c3C2=O)cc1F.
What is the InChIKey of 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is ZHMANFXBPZUIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-3-17(19,20)12-5-4-10(6-13(12)18)23-8-9(2)24-14(16(23)26)11(7-22-24)15(21)25/h4-7,9H,3,8H2,1-2H3,(H2,21,25).
What are the key properties of 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 145008215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).