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

C28H31FN4O2 — CID 22522358

IUPACN-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(c2cccc(F)c2)C3=O)cc1
InChIInChI=1S/C28H31FN4O2/c1-3-19-12-14-20(15-13-19)24-17-25-26(34)33(23-11-7-8-21(29)16-23)28(2,18-32(25)31-24)27(35)30-22-9-5-4-6-10-22/h7-8,11-17,22H,3-6,9-10,18H2,1-2H3,(H,30,35)
InChIKeyIWVNCALSSFXKPK-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.12
Rot. Bonds5

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

N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522358) has the molecular formula C28H31FN4O2 and a molecular weight of 474.58 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID22522358
Molecular FormulaC28H31FN4O2
Molecular Weight474.58 g/mol
Exact Mass474.24
IUPAC NameN-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(c2cccc(F)c2)C3=O)cc1
InChIInChI=1S/C28H31FN4O2/c1-3-19-12-14-20(15-13-19)24-17-25-26(34)33(23-11-7-8-21(29)16-23)28(2,18-32(25)31-24)27(35)30-22-9-5-4-6-10-22/h7-8,11-17,22H,3-6,9-10,18H2,1-2H3,(H,30,35)
InChIKeyIWVNCALSSFXKPK-UHFFFAOYSA-N
XLogP5.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(cycloheptylcarbamoyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279175
(6R)-2-tert-butyl-N-cyclohexyl-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92903562
N-cyclooctyl-5-cyclopentyl-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522444
N-cycloheptyl-5-(3-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272579
(6R)-N-cycloheptyl-5-(4-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738658
5-[4-(chloromethyl)phenyl]-N-cycloheptyl-2-[4-(2-fluoroethyl)phenyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 89384257
(6S)-N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738910
N-cyclohexyl-2-(4-ethylphenyl)-5-(2-methoxyethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172105
ethyl (6S)-6-(cyclohexylcarbamoyl)-5-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744975
(6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738915
(6R)-2-tert-butyl-N-cyclooctyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063305
(6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738974

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522358) is N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(c2cccc(F)c2)C3=O)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is IWVNCALSSFXKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O2/c1-3-19-12-14-20(15-13-19)24-17-25-26(34)33(23-11-7-8-21(29)16-23)28(2,18-32(25)31-24)27(35)30-22-9-5-4-6-10-22/h7-8,11-17,22H,3-6,9-10,18H2,1-2H3,(H,30,35).
What are the key properties of N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).