5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide

C16H15FN4O2 — CID 110336624

IUPAC5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
SMILESCc1ccc(F)c(-c2cc(C(=O)Nc3cc(C)on3)nn2C)c1
InChIInChI=1S/C16H15FN4O2/c1-9-4-5-12(17)11(6-9)14-8-13(19-21(14)3)16(22)18-15-7-10(2)23-20-15/h4-8H,1-3H3,(H,18,20,22)
InChIKeyATEYUUUNIMEIMQ-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.08
Rot. Bonds3

About 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide

5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide (PubChem CID 110336624) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
PubChem CID110336624
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
SMILESCc1ccc(F)c(-c2cc(C(=O)Nc3cc(C)on3)nn2C)c1
InChIInChI=1S/C16H15FN4O2/c1-9-4-5-12(17)11(6-9)14-8-13(19-21(14)3)16(22)18-15-7-10(2)23-20-15/h4-8H,1-3H3,(H,18,20,22)
InChIKeyATEYUUUNIMEIMQ-UHFFFAOYSA-N
XLogP3.08
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethoxyphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110674187
2-fluoro-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62509692
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 110427015
[5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 110336589
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 4768902
N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336464
N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 42878933
N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336792
N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 110336606
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide (CID 110336624) is 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide is Cc1ccc(F)c(-c2cc(C(=O)Nc3cc(C)on3)nn2C)c1.
What is the InChIKey of 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is ATEYUUUNIMEIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-9-4-5-12(17)11(6-9)14-8-13(19-21(14)3)16(22)18-15-7-10(2)23-20-15/h4-8H,1-3H3,(H,18,20,22).
What are the key properties of 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide?
5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 110336624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).