N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide

C18H23N3O2 — CID 75537630

IUPACN-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCCn1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)n1
InChIInChI=1S/C18H23N3O2/c1-3-21-11-8-16(20-21)19-17(22)18(9-12-23-13-10-18)15-6-4-14(2)5-7-15/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,19,20,22)
InChIKeyNIWJMBWGHXHPHT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.90
Rot. Bonds4

About N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide

N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide (PubChem CID 75537630) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide
PubChem CID75537630
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCCn1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)n1
InChIInChI=1S/C18H23N3O2/c1-3-21-11-8-16(20-21)19-17(22)18(9-12-23-13-10-18)15-6-4-14(2)5-7-15/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,19,20,22)
InChIKeyNIWJMBWGHXHPHT-UHFFFAOYSA-N
XLogP2.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide (CID 75537630) is N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide is CCn1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide?
The InChIKey is NIWJMBWGHXHPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-21-11-8-16(20-21)19-17(22)18(9-12-23-13-10-18)15-6-4-14(2)5-7-15/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,19,20,22).
What are the key properties of N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide?
N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 75537630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).