1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide

C17H21N3O2 — CID 166300928

IUPAC1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2(c3ccccc3)CCCOC2)n1
InChIInChI=1S/C17H21N3O2/c1-2-20-11-9-15(19-20)16(21)18-17(10-6-12-22-13-17)14-7-4-3-5-8-14/h3-5,7-9,11H,2,6,10,12-13H2,1H3,(H,18,21)
InChIKeyZJQOZRKVFQESHR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.34
Rot. Bonds4

About 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide

1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide (PubChem CID 166300928) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide
PubChem CID166300928
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2(c3ccccc3)CCCOC2)n1
InChIInChI=1S/C17H21N3O2/c1-2-20-11-9-15(19-20)16(21)18-17(10-6-12-22-13-17)14-7-4-3-5-8-14/h3-5,7-9,11H,2,6,10,12-13H2,1H3,(H,18,21)
InChIKeyZJQOZRKVFQESHR-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride
CID 171708235
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CID 138021749
N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide
CID 125160202
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1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
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3-acetamido-2-methyl-N-(3-phenyloxolan-3-yl)benzamide
CID 154847774
N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide
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CID 110478581
1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
CID 146043892
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CID 92632361

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide (CID 166300928) is 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)NC2(c3ccccc3)CCCOC2)n1.
What is the InChIKey of 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide?
The InChIKey is ZJQOZRKVFQESHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-20-11-9-15(19-20)16(21)18-17(10-6-12-22-13-17)14-7-4-3-5-8-14/h3-5,7-9,11H,2,6,10,12-13H2,1H3,(H,18,21).
What are the key properties of 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide?
1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 166300928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).