6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C25H26N4O3 — CID 175114831

IUPAC6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)NC(c4ccccc4)C(C)(C)O)cc3c(=O)[nH]2)cc1C
InChIInChI=1S/C25H26N4O3/c1-15-10-11-18(12-16(15)2)20-14-29-21(24(31)26-20)13-19(28-29)23(30)27-22(25(3,4)32)17-8-6-5-7-9-17/h5-14,22,32H,1-4H3,(H,26,31)(H,27,30)
InChIKeyGKYOXLZMQBVCRZ-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.55
Rot. Bonds5

About 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 175114831) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID175114831
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)NC(c4ccccc4)C(C)(C)O)cc3c(=O)[nH]2)cc1C
InChIInChI=1S/C25H26N4O3/c1-15-10-11-18(12-16(15)2)20-14-29-21(24(31)26-20)13-19(28-29)23(30)27-22(25(3,4)32)17-8-6-5-7-9-17/h5-14,22,32H,1-4H3,(H,26,31)(H,27,30)
InChIKeyGKYOXLZMQBVCRZ-UHFFFAOYSA-N
XLogP3.55
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 175114831) is 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1ccc(-c2cn3nc(C(=O)NC(c4ccccc4)C(C)(C)O)cc3c(=O)[nH]2)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is GKYOXLZMQBVCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-10-11-18(12-16(15)2)20-14-29-21(24(31)26-20)13-19(28-29)23(30)27-22(25(3,4)32)17-8-6-5-7-9-17/h5-14,22,32H,1-4H3,(H,26,31)(H,27,30).
What are the key properties of 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 175114831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).