N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C17H16FN5O2 — CID 122301993

IUPACN-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCCOc1ncc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)cn1
InChIInChI=1S/C17H16FN5O2/c1-3-25-17-19-9-13(10-20-17)21-16(24)15-8-14(22-23(15)2)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,21,24)
InChIKeyGORZRIWYQXGEBL-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.67
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 122301993) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID122301993
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCCOc1ncc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)cn1
InChIInChI=1S/C17H16FN5O2/c1-3-25-17-19-9-13(10-20-17)21-16(24)15-8-14(22-23(15)2)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,21,24)
InChIKeyGORZRIWYQXGEBL-UHFFFAOYSA-N
XLogP2.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122304078
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832757
N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 771732
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 90622240
3-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 174832317
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832381
3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl chloride
CID 83381357
3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 121083931

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 122301993) is N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is CCOc1ncc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is GORZRIWYQXGEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-3-25-17-19-9-13(10-20-17)21-16(24)15-8-14(22-23(15)2)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122301993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).