3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide

C16H21N3O3 — CID 45486837

IUPAC3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide
SMILESCCc1nn(CCO)c(CC)c1Oc1cccc(C(N)=O)c1
InChIInChI=1S/C16H21N3O3/c1-3-13-15(14(4-2)19(18-13)8-9-20)22-12-7-5-6-11(10-12)16(17)21/h5-7,10,20H,3-4,8-9H2,1-2H3,(H2,17,21)
InChIKeyXEWDSAWGUJFCNO-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.89
Rot. Bonds7

About 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide

3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide (PubChem CID 45486837) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide
PubChem CID45486837
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide
SMILESCCc1nn(CCO)c(CC)c1Oc1cccc(C(N)=O)c1
InChIInChI=1S/C16H21N3O3/c1-3-13-15(14(4-2)19(18-13)8-9-20)22-12-7-5-6-11(10-12)16(17)21/h5-7,10,20H,3-4,8-9H2,1-2H3,(H2,17,21)
InChIKeyXEWDSAWGUJFCNO-UHFFFAOYSA-N
XLogP1.89
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide?
The IUPAC name of 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide (CID 45486837) is 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide.
What is the SMILES notation for 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide?
The canonical SMILES for 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide is CCc1nn(CCO)c(CC)c1Oc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide?
The InChIKey is XEWDSAWGUJFCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-13-15(14(4-2)19(18-13)8-9-20)22-12-7-5-6-11(10-12)16(17)21/h5-7,10,20H,3-4,8-9H2,1-2H3,(H2,17,21).
What are the key properties of 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide?
3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide has a molecular weight of 303.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzamide is sourced from PubChem (CID 45486837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).