4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide

C12H13ClN4O — CID 55189309

IUPAC4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(-n2cc(Cl)cn2)c1
InChIInChI=1S/C12H13ClN4O/c1-2-15-12(18)8-3-4-10(14)11(5-8)17-7-9(13)6-16-17/h3-7H,2,14H2,1H3,(H,15,18)
InChIKeyRDAFOAQAOWFNAU-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.86
Rot. Bonds3

About 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide

4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide (PubChem CID 55189309) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide
PubChem CID55189309
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(-n2cc(Cl)cn2)c1
InChIInChI=1S/C12H13ClN4O/c1-2-15-12(18)8-3-4-10(14)11(5-8)17-7-9(13)6-16-17/h3-7H,2,14H2,1H3,(H,15,18)
InChIKeyRDAFOAQAOWFNAU-UHFFFAOYSA-N
XLogP1.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide
CID 82999659
4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide
CID 63358993
4-amino-N-ethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 63358810
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
CID 55188948
3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
CID 47077545
N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
CID 19283527
4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
CID 63360633
4-amino-3-(4-phenylpyrazol-1-yl)benzoic acid
CID 82778121
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
CID 63360895
4-amino-3-[(4-chlorophenyl)methylsulfanyl]-N-ethylbenzamide
CID 114790171

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide?
The IUPAC name of 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide (CID 55189309) is 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(-n2cc(Cl)cn2)c1.
What is the InChIKey of 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide?
The InChIKey is RDAFOAQAOWFNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-15-12(18)8-3-4-10(14)11(5-8)17-7-9(13)6-16-17/h3-7H,2,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide?
4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide has a molecular weight of 264.72 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chloropyrazol-1-yl)-N-ethylbenzamide is sourced from PubChem (CID 55189309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).