4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide

C19H20N4O — CID 90587985

IUPAC4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
SMILESCCc1ccc(C(=O)NCCn2ccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-2-15-3-5-17(6-4-15)19(24)21-12-14-23-13-9-18(22-23)16-7-10-20-11-8-16/h3-11,13H,2,12,14H2,1H3,(H,21,24)
InChIKeySHODUTGNLUHUFI-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.94
Rot. Bonds6

About 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide

4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 90587985) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID90587985
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
SMILESCCc1ccc(C(=O)NCCn2ccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-2-15-3-5-17(6-4-15)19(24)21-12-14-23-13-9-18(22-23)16-7-10-20-11-8-16/h3-11,13H,2,12,14H2,1H3,(H,21,24)
InChIKeySHODUTGNLUHUFI-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 90588193
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71807800
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588072
4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
CID 90588000
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347
methyl 4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethylcarbamoyl]benzoate
CID 71808131
1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 90588201

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide (CID 90587985) is 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide is CCc1ccc(C(=O)NCCn2ccc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is SHODUTGNLUHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-15-3-5-17(6-4-15)19(24)21-12-14-23-13-9-18(22-23)16-7-10-20-11-8-16/h3-11,13H,2,12,14H2,1H3,(H,21,24).
What are the key properties of 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide?
4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 320.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90587985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).