3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide

C14H18N4O2 — CID 104616592

IUPAC3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)Nc1[nH]ncc1CC
InChIInChI=1S/C14H18N4O2/c1-3-9-8-16-18-13(9)17-14(19)10-6-5-7-11(15)12(10)20-4-2/h5-8H,3-4,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyRVGGBLCKYXXGHG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds5

About 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide

3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide (PubChem CID 104616592) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
PubChem CID104616592
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)Nc1[nH]ncc1CC
InChIInChI=1S/C14H18N4O2/c1-3-9-8-16-18-13(9)17-14(19)10-6-5-7-11(15)12(10)20-4-2/h5-8H,3-4,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyRVGGBLCKYXXGHG-UHFFFAOYSA-N
XLogP2.21
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616630
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide
CID 104620300
N-(4-ethyl-1H-pyrazol-5-yl)-2-fluoropyridine-3-carboxamide
CID 114037892
3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616145
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104620278
3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide
CID 102803184
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide
CID 107363411

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide (CID 104616592) is 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide is CCOc1c(N)cccc1C(=O)Nc1[nH]ncc1CC.
What is the InChIKey of 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is RVGGBLCKYXXGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-9-8-16-18-13(9)17-14(19)10-6-5-7-11(15)12(10)20-4-2/h5-8H,3-4,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 104616592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).