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

C17H16FN5O3 — CID 122304078

IUPACN-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ncc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)c(OC)n1
InChIInChI=1S/C17H16FN5O3/c1-23-14(8-12(22-23)10-4-6-11(18)7-5-10)15(24)20-13-9-19-17(26-3)21-16(13)25-2/h4-9H,1-3H3,(H,20,24)
InChIKeyNDDPFGLBXPPQIM-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.29
Rot. Bonds5

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

N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 122304078) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID122304078
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ncc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)c(OC)n1
InChIInChI=1S/C17H16FN5O3/c1-23-14(8-12(22-23)10-4-6-11(18)7-5-10)15(24)20-13-9-19-17(26-3)21-16(13)25-2/h4-9H,1-3H3,(H,20,24)
InChIKeyNDDPFGLBXPPQIM-UHFFFAOYSA-N
XLogP2.29
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 122304078) is N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is COc1ncc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is NDDPFGLBXPPQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-23-14(8-12(22-23)10-4-6-11(18)7-5-10)15(24)20-13-9-19-17(26-3)21-16(13)25-2/h4-9H,1-3H3,(H,20,24).
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 357.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122304078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).