2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C21H26N4O2 — CID 167861128

IUPAC2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C2CCN(C(=O)c3cc4n(n3)CC(C)NC4=O)C2(C)C)cc1
InChIInChI=1S/C21H26N4O2/c1-13-5-7-15(8-6-13)16-9-10-24(21(16,3)4)20(27)17-11-18-19(26)22-14(2)12-25(18)23-17/h5-8,11,14,16H,9-10,12H2,1-4H3,(H,22,26)
InChIKeyKBDTUFZFZIXXPP-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.73
Rot. Bonds2

About 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 167861128) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID167861128
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(C2CCN(C(=O)c3cc4n(n3)CC(C)NC4=O)C2(C)C)cc1
InChIInChI=1S/C21H26N4O2/c1-13-5-7-15(8-6-13)16-9-10-24(21(16,3)4)20(27)17-11-18-19(26)22-14(2)12-25(18)23-17/h5-8,11,14,16H,9-10,12H2,1-4H3,(H,22,26)
InChIKeyKBDTUFZFZIXXPP-UHFFFAOYSA-N
XLogP2.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one
CID 119063085
4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 122111158
5-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 122111154
5,6-dimethyl-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758679
(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743269
2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 175852598
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743571
6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758478
(6S)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743572
(6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92744039
[1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methylphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 51662389
(6R)-6-N-cyclohexyl-5,6-dimethyl-2-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743364

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 167861128) is 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(C2CCN(C(=O)c3cc4n(n3)CC(C)NC4=O)C2(C)C)cc1.
What is the InChIKey of 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KBDTUFZFZIXXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-5-7-15(8-6-13)16-9-10-24(21(16,3)4)20(27)17-11-18-19(26)22-14(2)12-25(18)23-17/h5-8,11,14,16H,9-10,12H2,1-4H3,(H,22,26).
What are the key properties of 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 366.47 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-3-(4-methylphenyl)pyrrolidine-1-carbonyl]-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 167861128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).