3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide

C18H20N4O2 — CID 122265981

IUPAC3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC(c2ccco2)n2cccn2)c1
InChIInChI=1S/C18H20N4O2/c1-21(2)15-7-3-6-14(12-15)18(23)19-13-16(17-8-4-11-24-17)22-10-5-9-20-22/h3-12,16H,13H2,1-2H3,(H,19,23)
InChIKeyCOYHVMMQEWBYHS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.56
Rot. Bonds6

About 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide

3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide (PubChem CID 122265981) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
PubChem CID122265981
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC(c2ccco2)n2cccn2)c1
InChIInChI=1S/C18H20N4O2/c1-21(2)15-7-3-6-14(12-15)18(23)19-13-16(17-8-4-11-24-17)22-10-5-9-20-22/h3-12,16H,13H2,1-2H3,(H,19,23)
InChIKeyCOYHVMMQEWBYHS-UHFFFAOYSA-N
XLogP2.56
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121019350
2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265973
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
3-(dimethylamino)-N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]benzamide
CID 126850446
2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 122266237
1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122266310
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide (CID 122265981) is 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide is CN(C)c1cccc(C(=O)NCC(c2ccco2)n2cccn2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide?
The InChIKey is COYHVMMQEWBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21(2)15-7-3-6-14(12-15)18(23)19-13-16(17-8-4-11-24-17)22-10-5-9-20-22/h3-12,16H,13H2,1-2H3,(H,19,23).
What are the key properties of 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide?
3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide has a molecular weight of 324.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide is sourced from PubChem (CID 122265981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).