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

C14H18N4O2 — CID 104616103

IUPAC3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(CC)[nH]n2)cc1N
InChIInChI=1S/C14H18N4O2/c1-3-10-8-13(18-17-10)16-14(19)9-5-6-12(20-4-2)11(15)7-9/h5-8H,3-4,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyQLULDHCSGXJIJS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds5

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

3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104616103) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
PubChem CID104616103
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(CC)[nH]n2)cc1N
InChIInChI=1S/C14H18N4O2/c1-3-10-8-13(18-17-10)16-14(19)9-5-6-12(20-4-2)11(15)7-9/h5-8H,3-4,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyQLULDHCSGXJIJS-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-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
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3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
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4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
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N-(5-ethyl-1H-pyrazol-3-yl)quinoxaline-6-carboxamide
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4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
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3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (CID 104616103) is 3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is CCOc1ccc(C(=O)Nc2cc(CC)[nH]n2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is QLULDHCSGXJIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-10-8-13(18-17-10)16-14(19)9-5-6-12(20-4-2)11(15)7-9/h5-8H,3-4,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-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-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104616103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).