3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide

C13H16N4O — CID 43543182

IUPAC3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
SMILESCCn1cc(NC(=O)c2ccc(C)c(N)c2)cn1
InChIInChI=1S/C13H16N4O/c1-3-17-8-11(7-15-17)16-13(18)10-5-4-9(2)12(14)6-10/h4-8H,3,14H2,1-2H3,(H,16,18)
InChIKeySELVGUSKMPRVED-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.05
Rot. Bonds3

About 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide

3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide (PubChem CID 43543182) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
PubChem CID43543182
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
SMILESCCn1cc(NC(=O)c2ccc(C)c(N)c2)cn1
InChIInChI=1S/C13H16N4O/c1-3-17-8-11(7-15-17)16-13(18)10-5-4-9(2)12(14)6-10/h4-8H,3,14H2,1-2H3,(H,16,18)
InChIKeySELVGUSKMPRVED-UHFFFAOYSA-N
XLogP2.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.05
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

4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide
CID 43429927
6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 172671309
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide
CID 19340608
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35277482
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
3-chloro-N-(1-ethylpyrazol-4-yl)-4-nitrobenzamide
CID 82781184
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
4-amino-3-hydroxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 107074249
methyl 2-[4-[(3-hydroxy-4-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 61018238
4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
CID 43643735

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide (CID 43543182) is 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide is CCn1cc(NC(=O)c2ccc(C)c(N)c2)cn1.
What is the InChIKey of 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide?
The InChIKey is SELVGUSKMPRVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-17-8-11(7-15-17)16-13(18)10-5-4-9(2)12(14)6-10/h4-8H,3,14H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide?
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide has a molecular weight of 244.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide is sourced from PubChem (CID 43543182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).