3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide

C15H20N4O2 — CID 116800376

IUPAC3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
SMILESCCCn1cc(Oc2ccc(C(=O)NCC)cc2N)cn1
InChIInChI=1S/C15H20N4O2/c1-3-7-19-10-12(9-18-19)21-14-6-5-11(8-13(14)16)15(20)17-4-2/h5-6,8-10H,3-4,7,16H2,1-2H3,(H,17,20)
InChIKeyYDEGFYHMYVALKE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.42
Rot. Bonds6

About 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide

3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide (PubChem CID 116800376) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
PubChem CID116800376
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
SMILESCCCn1cc(Oc2ccc(C(=O)NCC)cc2N)cn1
InChIInChI=1S/C15H20N4O2/c1-3-7-19-10-12(9-18-19)21-14-6-5-11(8-13(14)16)15(20)17-4-2/h5-6,8-10H,3-4,7,16H2,1-2H3,(H,17,20)
InChIKeyYDEGFYHMYVALKE-UHFFFAOYSA-N
XLogP2.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.42
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

3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
CID 82990957
3-amino-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793241
3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide
CID 82990983
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
CID 82990978
methyl 3-amino-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 116802581
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
3-amino-N-methyl-4-(4-propylphenoxy)benzamide
CID 82992638
1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone
CID 116801606
3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
CID 82990981
2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
CID 116800416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide?
The IUPAC name of 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide (CID 116800376) is 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide is CCCn1cc(Oc2ccc(C(=O)NCC)cc2N)cn1.
What is the InChIKey of 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide?
The InChIKey is YDEGFYHMYVALKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-7-19-10-12(9-18-19)21-14-6-5-11(8-13(14)16)15(20)17-4-2/h5-6,8-10H,3-4,7,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide?
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide has a molecular weight of 288.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide is sourced from PubChem (CID 116800376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).