3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide

C14H18N4O2 — CID 102803184

IUPAC3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)Nc1cn(C)nc1C
InChIInChI=1S/C14H18N4O2/c1-4-20-13-10(6-5-7-11(13)15)14(19)16-12-8-18(3)17-9(12)2/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyHMEMDWYVHIDSEF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.96
Rot. Bonds4

About 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide

3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide (PubChem CID 102803184) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide
PubChem CID102803184
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)Nc1cn(C)nc1C
InChIInChI=1S/C14H18N4O2/c1-4-20-13-10(6-5-7-11(13)15)14(19)16-12-8-18(3)17-9(12)2/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyHMEMDWYVHIDSEF-UHFFFAOYSA-N
XLogP1.96
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
N-(1,3-dimethylpyrazol-4-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 102807240
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-nitrobenzamide
CID 103733966
4-amino-N-(1,3-dimethylpyrazol-4-yl)-6-methylpyridine-3-carboxamide
CID 102807226
3-amino-N-(1,3-dimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 102807250
3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104616592
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide?
The IUPAC name of 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide (CID 102803184) is 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide is CCOc1c(N)cccc1C(=O)Nc1cn(C)nc1C.
What is the InChIKey of 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide?
The InChIKey is HMEMDWYVHIDSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-20-13-10(6-5-7-11(13)15)14(19)16-12-8-18(3)17-9(12)2/h5-8H,4,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide?
3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide is sourced from PubChem (CID 102803184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).