N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide

C18H20N4O3 — CID 24982195

IUPACN-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)n(Cc2cc(C)no2)n1
InChIInChI=1S/C18H20N4O3/c1-13-10-15(25-21-13)12-22-17(14-6-4-3-5-7-14)11-16(20-22)18(23)19-8-9-24-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,23)
InChIKeyBNRGZOAPRSYIMH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.27
Rot. Bonds7

About N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide

N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 24982195) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
PubChem CID24982195
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)n(Cc2cc(C)no2)n1
InChIInChI=1S/C18H20N4O3/c1-13-10-15(25-21-13)12-22-17(14-6-4-3-5-7-14)11-16(20-22)18(23)19-8-9-24-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,23)
InChIKeyBNRGZOAPRSYIMH-UHFFFAOYSA-N
XLogP2.27
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide (CID 24982195) is N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide is COCCNC(=O)c1cc(-c2ccccc2)n(Cc2cc(C)no2)n1.
What is the InChIKey of N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is BNRGZOAPRSYIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-10-15(25-21-13)12-22-17(14-6-4-3-5-7-14)11-16(20-22)18(23)19-8-9-24-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,23).
What are the key properties of N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 24982195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).