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

C16H15N5O3 — CID 174162569

IUPACN-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c2C(=O)NC(C)C3)cc1C#N
InChIInChI=1S/C16H15N5O3/c1-9-8-21-14(16(23)19-9)12(7-18-21)15(22)20-11-3-4-13(24-2)10(5-11)6-17/h3-5,7,9H,8H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJYSUYOZNIYRMOK-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.15
Rot. Bonds3

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

N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 174162569) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID174162569
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c2C(=O)NC(C)C3)cc1C#N
InChIInChI=1S/C16H15N5O3/c1-9-8-21-14(16(23)19-9)12(7-18-21)15(22)20-11-3-4-13(24-2)10(5-11)6-17/h3-5,7,9H,8H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJYSUYOZNIYRMOK-UHFFFAOYSA-N
XLogP1.15
TPSA109.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 170713179
(6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713202
N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174163046
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
N-[4-(2-aminoethoxy)-3-cyanophenyl]-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174162885
3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide
CID 170713351
3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 170712755
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470
N-(4-bromo-3-cyanophenyl)-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174163045
1-(4-chlorophenyl)-N-(3-cyano-4-piperidin-4-yloxyphenyl)-5-methylpyrazole-4-carboxamide
CID 22228133
3-cyano-4-methoxy-N-[6-methyl-4-oxo-5-[4-(3,3,3-trifluoropropyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 174162902
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 174162569) is N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide is COc1ccc(NC(=O)c2cnn3c2C(=O)NC(C)C3)cc1C#N.
What is the InChIKey of N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is JYSUYOZNIYRMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9-8-21-14(16(23)19-9)12(7-18-21)15(22)20-11-3-4-13(24-2)10(5-11)6-17/h3-5,7,9H,8H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 174162569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).