1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide

C14H17N3O2 — CID 19472287

IUPAC1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2cccc(O)c2)c1C
InChIInChI=1S/C14H17N3O2/c1-4-17-10(3)13(9(2)16-17)14(19)15-11-6-5-7-12(18)8-11/h5-8,18H,4H2,1-3H3,(H,15,19)
InChIKeyONVQTDUCPUVCMF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds3

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

1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 19472287) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID19472287
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2cccc(O)c2)c1C
InChIInChI=1S/C14H17N3O2/c1-4-17-10(3)13(9(2)16-17)14(19)15-11-6-5-7-12(18)8-11/h5-8,18H,4H2,1-3H3,(H,15,19)
InChIKeyONVQTDUCPUVCMF-UHFFFAOYSA-N
XLogP2.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.48
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)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 19472287) is 1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)Nc2cccc(O)c2)c1C.
What is the InChIKey of 1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ONVQTDUCPUVCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-17-10(3)13(9(2)16-17)14(19)15-11-6-5-7-12(18)8-11/h5-8,18H,4H2,1-3H3,(H,15,19).
What are the key properties of 1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.48, 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)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19472287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).