2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C25H34N4O2 — CID 50756568

IUPAC2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H34N4O2/c1-17-11-9-10-14-19(17)29-22(30)20-15-21(24(2,3)4)27-28(20)16-25(29,5)23(31)26-18-12-7-6-8-13-18/h9-11,14-15,18H,6-8,12-13,16H2,1-5H3,(H,26,31)
InChIKeyGPKRDRAHDCVANF-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.36
Rot. Bonds3

About 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756568) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756568
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H34N4O2/c1-17-11-9-10-14-19(17)29-22(30)20-15-21(24(2,3)4)27-28(20)16-25(29,5)23(31)26-18-12-7-6-8-13-18/h9-11,14-15,18H,6-8,12-13,16H2,1-5H3,(H,26,31)
InChIKeyGPKRDRAHDCVANF-UHFFFAOYSA-N
XLogP4.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (6R)-6-(cyclopentylcarbamoyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745026
2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522226
(6S)-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92704003
(6R)-2-tert-butyl-N-cyclohexyl-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92903562
(6R)-2-tert-butyl-N-cyclooctyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063305
(6S)-2-tert-butyl-N-cycloheptyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738865
2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522266
(6R)-5-benzyl-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738731
(6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738746
ethyl 6-(cyclooctylcarbamoyl)-5-(2,3-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 20919511
ethyl 6-(cycloheptylcarbamoyl)-5-(2,3-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279205
methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744630

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756568) is 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2CC1(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is GPKRDRAHDCVANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-11-9-10-14-19(17)29-22(30)20-15-21(24(2,3)4)27-28(20)16-25(29,5)23(31)26-18-12-7-6-8-13-18/h9-11,14-15,18H,6-8,12-13,16H2,1-5H3,(H,26,31).
What are the key properties of 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).