(7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C15H15ClN4O2 — CID 118694283

IUPAC(7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cc(N2C[C@H](C)n3ncc(C(N)=O)c3C2=O)ccc1Cl
InChIInChI=1S/C15H15ClN4O2/c1-8-5-10(3-4-12(8)16)19-7-9(2)20-13(15(19)22)11(6-18-20)14(17)21/h3-6,9H,7H2,1-2H3,(H2,17,21)/t9-/m0/s1
InChIKeyLTDVAGCAVAXYOZ-VIFPVBQESA-N
MW318.76 g/mol
LogP2.17
Rot. Bonds2

About (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

(7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 118694283) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID118694283
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name(7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cc(N2C[C@H](C)n3ncc(C(N)=O)c3C2=O)ccc1Cl
InChIInChI=1S/C15H15ClN4O2/c1-8-5-10(3-4-12(8)16)19-7-9(2)20-13(15(19)22)11(6-18-20)14(17)21/h3-6,9H,7H2,1-2H3,(H2,17,21)/t9-/m0/s1
InChIKeyLTDVAGCAVAXYOZ-VIFPVBQESA-N
XLogP2.17
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-3-[2-(2-amino-3-pyridinyl)-2-oxoethyl]-5-(4-chloro-3-methylphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 159215302
5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 145008215
(7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane
CID 161145870
ethyl (7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate;sulfane
CID 161351817
(7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694175
6-chloro-N-[(7S)-5-(3,4-dichlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyrazine-2-carboxamide
CID 118693853
(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694316
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-N-(5-methyl-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 159449948
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
(7S)-5-[4-(difluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 174162544
(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)-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

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 118694283) is (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1cc(N2C[C@H](C)n3ncc(C(N)=O)c3C2=O)ccc1Cl.
What is the InChIKey of (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is LTDVAGCAVAXYOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-8-5-10(3-4-12(8)16)19-7-9(2)20-13(15(19)22)11(6-18-20)14(17)21/h3-6,9H,7H2,1-2H3,(H2,17,21)/t9-/m0/s1.
What are the key properties of (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
(7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 118694283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).