4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide

C15H20N4O2 — CID 66123377

IUPAC4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCc2ccc(O)cc2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-12-13(16)14(19(2)18-12)15(21)17-9-8-10-4-6-11(20)7-5-10/h4-7,20H,3,8-9,16H2,1-2H3,(H,17,21)
InChIKeyUVFKQWRUHBSZFF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.24
Rot. Bonds5

About 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide

4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 66123377) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID66123377
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCc2ccc(O)cc2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-12-13(16)14(19(2)18-12)15(21)17-9-8-10-4-6-11(20)7-5-10/h4-7,20H,3,8-9,16H2,1-2H3,(H,17,21)
InChIKeyUVFKQWRUHBSZFF-UHFFFAOYSA-N
XLogP1.24
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (CID 66123377) is 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCCc2ccc(O)cc2)c1N.
What is the InChIKey of 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is UVFKQWRUHBSZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-12-13(16)14(19(2)18-12)15(21)17-9-8-10-4-6-11(20)7-5-10/h4-7,20H,3,8-9,16H2,1-2H3,(H,17,21).
What are the key properties of 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).