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

C19H20N4O2 — CID 46883830

IUPACN-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1
InChIInChI=1S/C19H20N4O2/c1-4-22(16-10-11-18(25-3)20-12-16)19(24)17-13-21-23(14(17)2)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyDANLKCPTWUHRBI-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.25
Rot. Bonds5

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

N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 46883830) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID46883830
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1
InChIInChI=1S/C19H20N4O2/c1-4-22(16-10-11-18(25-3)20-12-16)19(24)17-13-21-23(14(17)2)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyDANLKCPTWUHRBI-UHFFFAOYSA-N
XLogP3.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 46883830) is N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide is CCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1.
What is the InChIKey of N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is DANLKCPTWUHRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-22(16-10-11-18(25-3)20-12-16)19(24)17-13-21-23(14(17)2)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46883830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).