1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide

C13H15N3O2 — CID 19280945

IUPAC1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2cccc(O)c2)c1C
InChIInChI=1S/C13H15N3O2/c1-3-16-9(2)12(8-14-16)13(18)15-10-5-4-6-11(17)7-10/h4-8,17H,3H2,1-2H3,(H,15,18)
InChIKeyDYLSJFOJBPMXQK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.17
Rot. Bonds3

About 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide

1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 19280945) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID19280945
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2cccc(O)c2)c1C
InChIInChI=1S/C13H15N3O2/c1-3-16-9(2)12(8-14-16)13(18)15-10-5-4-6-11(17)7-10/h4-8,17H,3H2,1-2H3,(H,15,18)
InChIKeyDYLSJFOJBPMXQK-UHFFFAOYSA-N
XLogP2.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide (CID 19280945) is 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2cccc(O)c2)c1C.
What is the InChIKey of 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is DYLSJFOJBPMXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-16-9(2)12(8-14-16)13(18)15-10-5-4-6-11(17)7-10/h4-8,17H,3H2,1-2H3,(H,15,18).
What are the key properties of 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide?
1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19280945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).