3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide

C14H18N4O2 — CID 68756298

IUPAC3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide
SMILESCN(C)CCOc1cc(C(N)=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C14H18N4O2/c1-18(2)5-6-20-13-7-10(14(15)19)3-4-12(13)11-8-16-17-9-11/h3-4,7-9H,5-6H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyHJQAMRYKKNBEFB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.12
Rot. Bonds6

About 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide

3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 68756298) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID68756298
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide
SMILESCN(C)CCOc1cc(C(N)=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C14H18N4O2/c1-18(2)5-6-20-13-7-10(14(15)19)3-4-12(13)11-8-16-17-9-11/h3-4,7-9H,5-6H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyHJQAMRYKKNBEFB-UHFFFAOYSA-N
XLogP1.12
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide (CID 68756298) is 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide is CN(C)CCOc1cc(C(N)=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is HJQAMRYKKNBEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(2)5-6-20-13-7-10(14(15)19)3-4-12(13)11-8-16-17-9-11/h3-4,7-9H,5-6H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide?
3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 68756298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).