N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide

C17H17N5O3 — CID 122304031

IUPACN-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCOc1ncc(NC(=O)c2cc(-c3ccccc3)nn2C)c(OC)n1
InChIInChI=1S/C17H17N5O3/c1-22-14(9-12(21-22)11-7-5-4-6-8-11)15(23)19-13-10-18-17(25-3)20-16(13)24-2/h4-10H,1-3H3,(H,19,23)
InChIKeyVFRYOCIVMFVNTG-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.15
Rot. Bonds5

About N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide

N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 122304031) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID122304031
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCOc1ncc(NC(=O)c2cc(-c3ccccc3)nn2C)c(OC)n1
InChIInChI=1S/C17H17N5O3/c1-22-14(9-12(21-22)11-7-5-4-6-8-11)15(23)19-13-10-18-17(25-3)20-16(13)24-2/h4-10H,1-3H3,(H,19,23)
InChIKeyVFRYOCIVMFVNTG-UHFFFAOYSA-N
XLogP2.15
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.15
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)-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide (CID 122304031) is N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide is COc1ncc(NC(=O)c2cc(-c3ccccc3)nn2C)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is VFRYOCIVMFVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-22-14(9-12(21-22)11-7-5-4-6-8-11)15(23)19-13-10-18-17(25-3)20-16(13)24-2/h4-10H,1-3H3,(H,19,23).
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 2.15, 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)-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 122304031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).