5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide

C20H22N6O3 — CID 167170742

IUPAC5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)NCc3cnc(C)cn3)CC2N2CCOC2=O)cc1
InChIInChI=1S/C20H22N6O3/c1-13-3-5-15(6-4-13)18-17(25-7-8-29-20(25)28)12-26(24-18)19(27)23-11-16-10-21-14(2)9-22-16/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,23,27)
InChIKeyICHUYYHUQOBJDJ-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.84
Rot. Bonds4

About 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide

5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 167170742) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID167170742
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)NCc3cnc(C)cn3)CC2N2CCOC2=O)cc1
InChIInChI=1S/C20H22N6O3/c1-13-3-5-15(6-4-13)18-17(25-7-8-29-20(25)28)12-26(24-18)19(27)23-11-16-10-21-14(2)9-22-16/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,23,27)
InChIKeyICHUYYHUQOBJDJ-UHFFFAOYSA-N
XLogP1.84
TPSA100.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide (CID 167170742) is 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(C2=NN(C(=O)NCc3cnc(C)cn3)CC2N2CCOC2=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is ICHUYYHUQOBJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-13-3-5-15(6-4-13)18-17(25-7-8-29-20(25)28)12-26(24-18)19(27)23-11-16-10-21-14(2)9-22-16/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,23,27).
What are the key properties of 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 167170742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).