N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C20H23FN4O2 — CID 46077269

IUPACN-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O
InChIInChI=1S/C20H23FN4O2/c21-15-6-4-5-14(11-15)13-24-9-10-25-18(20(24)27)12-17(23-25)19(26)22-16-7-2-1-3-8-16/h4-6,11-12,16H,1-3,7-10,13H2,(H,22,26)
InChIKeyCOMAILWPOAPHPF-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.74
Rot. Bonds4

About N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46077269) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46077269
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O
InChIInChI=1S/C20H23FN4O2/c21-15-6-4-5-14(11-15)13-24-9-10-25-18(20(24)27)12-17(23-25)19(26)22-16-7-2-1-3-8-16/h4-6,11-12,16H,1-3,7-10,13H2,(H,22,26)
InChIKeyCOMAILWPOAPHPF-UHFFFAOYSA-N
XLogP2.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077194
5-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077271
5-[(2-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875275
N-cyclopropyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034567
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 93332426
N-[(3-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034592
N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077623
5-[(2-fluorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876400
N-(2-ethylphenyl)-5-[(3-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53029178
N-(2,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034527
5-benzyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078705
4-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93008783

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46077269) is N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NC1CCCCC1)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O.
What is the InChIKey of N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is COMAILWPOAPHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-15-6-4-5-14(11-15)13-24-9-10-25-18(20(24)27)12-17(23-25)19(26)22-16-7-2-1-3-8-16/h4-6,11-12,16H,1-3,7-10,13H2,(H,22,26).
What are the key properties of N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46077269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).