4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide

C19H20N4O — CID 71718943

IUPAC4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(C)n2)nn(C)c1-c1ccccc1
InChIInChI=1S/C19H20N4O/c1-4-15-17(19(24)21-16-12-8-9-13(2)20-16)22-23(3)18(15)14-10-6-5-7-11-14/h5-12H,4H2,1-3H3,(H,20,21,24)
InChIKeyIVKCGSOCXPXQAR-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.61
Rot. Bonds4

About 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide

4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide (PubChem CID 71718943) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide
PubChem CID71718943
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(C)n2)nn(C)c1-c1ccccc1
InChIInChI=1S/C19H20N4O/c1-4-15-17(19(24)21-16-12-8-9-13(2)20-16)22-23(3)18(15)14-10-6-5-7-11-14/h5-12H,4H2,1-3H3,(H,20,21,24)
InChIKeyIVKCGSOCXPXQAR-UHFFFAOYSA-N
XLogP3.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide (CID 71718943) is 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide is CCc1c(C(=O)Nc2cccc(C)n2)nn(C)c1-c1ccccc1.
What is the InChIKey of 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
The InChIKey is IVKCGSOCXPXQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-4-15-17(19(24)21-16-12-8-9-13(2)20-16)22-23(3)18(15)14-10-6-5-7-11-14/h5-12H,4H2,1-3H3,(H,20,21,24).
What are the key properties of 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71718943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).