5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide

C18H18FN5O3 — CID 110427015

IUPAC5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)c2cc(-c3ccc(F)c(C)c3)n(C)n2)no1
InChIInChI=1S/C18H18FN5O3/c1-10-6-12(4-5-13(10)19)15-8-14(22-24(15)3)18(26)20-9-17(25)21-16-7-11(2)27-23-16/h4-8H,9H2,1-3H3,(H,20,26)(H,21,23,25)
InChIKeyUXGFIJVAHASMGS-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.20
Rot. Bonds5

About 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide

5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 110427015) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID110427015
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)c2cc(-c3ccc(F)c(C)c3)n(C)n2)no1
InChIInChI=1S/C18H18FN5O3/c1-10-6-12(4-5-13(10)19)15-8-14(22-24(15)3)18(26)20-9-17(25)21-16-7-11(2)27-23-16/h4-8H,9H2,1-3H3,(H,20,26)(H,21,23,25)
InChIKeyUXGFIJVAHASMGS-UHFFFAOYSA-N
XLogP2.20
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110336624
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110307168
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
CID 110411257
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
CID 110307605
5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 110306858
5-(2,5-dimethoxyphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110674187
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
5-(3,4-difluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42879103
3-(2-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614533
3-bromo-5-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 110614679

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide (CID 110427015) is 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide is Cc1cc(NC(=O)CNC(=O)c2cc(-c3ccc(F)c(C)c3)n(C)n2)no1.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is UXGFIJVAHASMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-10-6-12(4-5-13(10)19)15-8-14(22-24(15)3)18(26)20-9-17(25)21-16-7-11(2)27-23-16/h4-8H,9H2,1-3H3,(H,20,26)(H,21,23,25).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide?
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110427015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).