N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C23H23FN4O3 — CID 53049639

IUPACN-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1cccc(N2C(=O)c3cc(C)nn3CC2(C)C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C23H23FN4O3/c1-15-11-20-21(29)28(18-5-4-6-19(12-18)31-3)23(2,14-27(20)26-15)22(30)25-13-16-7-9-17(24)10-8-16/h4-12H,13-14H2,1-3H3,(H,25,30)
InChIKeyARHQAWHYHAAIFJ-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.07
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049639) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID53049639
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1cccc(N2C(=O)c3cc(C)nn3CC2(C)C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C23H23FN4O3/c1-15-11-20-21(29)28(18-5-4-6-19(12-18)31-3)23(2,14-27(20)26-15)22(30)25-13-16-7-9-17(24)10-8-16/h4-12H,13-14H2,1-3H3,(H,25,30)
InChIKeyARHQAWHYHAAIFJ-UHFFFAOYSA-N
XLogP3.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063271
(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062943
(6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 93065003
(6S)-5-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 93064979
N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53003559
5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049624
(6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063279
(6R)-2-(furan-2-yl)-5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062828
(6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062881
(6S)-5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062958
5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756630
5-(3-ethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049425

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049639) is N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1cccc(N2C(=O)c3cc(C)nn3CC2(C)C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is ARHQAWHYHAAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-15-11-20-21(29)28(18-5-4-6-19(12-18)31-3)23(2,14-27(20)26-15)22(30)25-13-16-7-9-17(24)10-8-16/h4-12H,13-14H2,1-3H3,(H,25,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).