3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide

C16H15N5O3 — CID 170713351

IUPAC3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnn3c2C(=O)NCC3C)cc1C#N
InChIInChI=1S/C16H15N5O3/c1-9-7-18-16(23)14-12(8-19-21(9)14)20-15(22)10-3-4-13(24-2)11(5-10)6-17/h3-5,8-9H,7H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyLDEIOYYBQVMSRR-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.32
Rot. Bonds3

About 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide

3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide (PubChem CID 170713351) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide
PubChem CID170713351
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnn3c2C(=O)NCC3C)cc1C#N
InChIInChI=1S/C16H15N5O3/c1-9-7-18-16(23)14-12(8-19-21(9)14)20-15(22)10-3-4-13(24-2)11(5-10)6-17/h3-5,8-9H,7H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyLDEIOYYBQVMSRR-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
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
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
3-cyano-N-[(6R,7R)-6,7-dimethyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-4-methoxybenzamide
CID 170713333
3-cyano-N-[(2S,6S)-7-[4-[difluoro(phenyl)methyl]phenyl]-5-methyl-8-oxo-1,4,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-10-yl]-4-methoxybenzamide
CID 177169158
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
3-cyano-4-methoxy-N-[6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 174202647
N-[5-[4-[(4-chloro-3-methoxyphenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-3-cyano-4-methoxybenzamide
CID 174162948
3-cyano-4-methoxy-N-[4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 170712845
3-cyano-N-[5-[4-[difluoro-(2-methoxyphenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-4-methoxybenzamide
CID 174162883
3-cyano-4-methoxy-N-[6-methyl-4-oxo-5-[4-[2-(trifluoromethoxy)ethoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 174162829
N-[(2S,6S)-4-acetyl-7-[4-[difluoro-(4-fluorophenyl)methyl]phenyl]-8-oxo-1,4,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-10-yl]-3-cyano-4-methoxybenzamide
CID 177169224
3-cyano-4-methoxy-N-[6-methyl-4-oxo-5-[4-(3,3,3-trifluoropropoxymethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 174163057

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide?
The IUPAC name of 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide (CID 170713351) is 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide.
What is the SMILES notation for 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide?
The canonical SMILES for 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide is COc1ccc(C(=O)Nc2cnn3c2C(=O)NCC3C)cc1C#N.
What is the InChIKey of 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide?
The InChIKey is LDEIOYYBQVMSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9-7-18-16(23)14-12(8-19-21(9)14)20-15(22)10-3-4-13(24-2)11(5-10)6-17/h3-5,8-9H,7H2,1-2H3,(H,18,23)(H,20,22).
What are the key properties of 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide?
3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide has a molecular weight of 325.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-methoxy-N-(7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)benzamide is sourced from PubChem (CID 170713351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).