N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide

C14H17N3O3 — CID 103910805

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H17N3O3/c1-4-10-11(8-17(2)16-10)15-14(19)9-5-6-13(20-3)12(18)7-9/h5-8,18H,4H2,1-3H3,(H,15,19)
InChIKeyCQEYQEPHYPUQIF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.95
Rot. Bonds4

About N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide

N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide (PubChem CID 103910805) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
PubChem CID103910805
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H17N3O3/c1-4-10-11(8-17(2)16-10)15-14(19)9-5-6-13(20-3)12(18)7-9/h5-8,18H,4H2,1-3H3,(H,15,19)
InChIKeyCQEYQEPHYPUQIF-UHFFFAOYSA-N
XLogP1.95
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide (CID 103910805) is N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide is CCc1nn(C)cc1NC(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is CQEYQEPHYPUQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-10-11(8-17(2)16-10)15-14(19)9-5-6-13(20-3)12(18)7-9/h5-8,18H,4H2,1-3H3,(H,15,19).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 275.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 103910805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).