ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C25H25FN4O4 — CID 46279336

IUPACethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCc1ccc(F)cc1)N(c1ccccc1C)C2=O
InChIInChI=1S/C25H25FN4O4/c1-4-34-23(32)19-13-21-22(31)30(20-8-6-5-7-16(20)2)25(3,15-29(21)28-19)24(33)27-14-17-9-11-18(26)12-10-17/h5-13H,4,14-15H2,1-3H3,(H,27,33)
InChIKeyQELQRHWVYOVFAS-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.24
Rot. Bonds6

About ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 46279336) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID46279336
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Nameethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCc1ccc(F)cc1)N(c1ccccc1C)C2=O
InChIInChI=1S/C25H25FN4O4/c1-4-34-23(32)19-13-21-22(31)30(20-8-6-5-7-16(20)2)25(3,15-29(21)28-19)24(33)27-14-17-9-11-18(26)12-10-17/h5-13H,4,14-15H2,1-3H3,(H,27,33)
InChIKeyQELQRHWVYOVFAS-UHFFFAOYSA-N
XLogP3.24
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745151
ethyl (6R)-5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92715496
ethyl 5-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 20919558
ethyl 6-(3-methoxypropylcarbamoyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279295
ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745096
ethyl 5-(3-chloro-2-methylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279322
ethyl (6R)-6-(cyclopentylcarbamoyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745026
N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049629
ethyl (6R)-5-(3-ethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745259
ethyl (6R)-6-(cycloheptylcarbamoyl)-5-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744840
ethyl (6R)-6-(benzylcarbamoyl)-6-methyl-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745083
ethyl 5-cyclopropyl-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279330

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 46279336) is ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCc1ccc(F)cc1)N(c1ccccc1C)C2=O.
What is the InChIKey of ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is QELQRHWVYOVFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-4-34-23(32)19-13-21-22(31)30(20-8-6-5-7-16(20)2)25(3,15-29(21)28-19)24(33)27-14-17-9-11-18(26)12-10-17/h5-13H,4,14-15H2,1-3H3,(H,27,33).
What are the key properties of ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 464.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 46279336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).