3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide

C21H23N3O3 — CID 56965181

IUPAC3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(CO)c2ccc(Oc3ccccc3)cc2)n(C)n1
InChIInChI=1S/C21H23N3O3/c1-3-16-13-20(24(2)23-16)21(26)22-19(14-25)15-9-11-18(12-10-15)27-17-7-5-4-6-8-17/h4-13,19,25H,3,14H2,1-2H3,(H,22,26)
InChIKeyUJBCYGGILZGPDF-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.24
Rot. Bonds7

About 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide

3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 56965181) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID56965181
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(CO)c2ccc(Oc3ccccc3)cc2)n(C)n1
InChIInChI=1S/C21H23N3O3/c1-3-16-13-20(24(2)23-16)21(26)22-19(14-25)15-9-11-18(12-10-15)27-17-7-5-4-6-8-17/h4-13,19,25H,3,14H2,1-2H3,(H,22,26)
InChIKeyUJBCYGGILZGPDF-UHFFFAOYSA-N
XLogP3.24
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (CID 56965181) is 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(CO)c2ccc(Oc3ccccc3)cc2)n(C)n1.
What is the InChIKey of 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is UJBCYGGILZGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-16-13-20(24(2)23-16)21(26)22-19(14-25)15-9-11-18(12-10-15)27-17-7-5-4-6-8-17/h4-13,19,25H,3,14H2,1-2H3,(H,22,26).
What are the key properties of 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 56965181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).