4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide

C19H25N3O2 — CID 71691265

IUPAC4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)NCCCn3cccn3)CCOCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-16-4-6-17(7-5-16)19(8-14-24-15-9-19)18(23)20-10-2-12-22-13-3-11-21-22/h3-7,11,13H,2,8-10,12,14-15H2,1H3,(H,20,23)
InChIKeyVRUKHJFSQRZIOO-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.45
Rot. Bonds6

About 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide

4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide (PubChem CID 71691265) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide
PubChem CID71691265
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)NCCCn3cccn3)CCOCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-16-4-6-17(7-5-16)19(8-14-24-15-9-19)18(23)20-10-2-12-22-13-3-11-21-22/h3-7,11,13H,2,8-10,12,14-15H2,1H3,(H,20,23)
InChIKeyVRUKHJFSQRZIOO-UHFFFAOYSA-N
XLogP2.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16187284
N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16187565
ethyl 4-(3-phenylpropyl)-1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxylate
CID 16191387
ethyl 1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-4-(2-phenylethyl)-4-piperidinecarboxylate
CID 16187322
ethyl 4-(3-fluorobenzyl)-1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxylate
CID 16190799
ethyl 4-benzyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxylate
CID 16191169
ethyl 1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16191980
2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17478388
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47035643
Methyl 3-(4-methylphenyl)-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 53521207
Propan-2-yl 3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 53525130

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide (CID 71691265) is 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide is Cc1ccc(C2(C(=O)NCCCn3cccn3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide?
The InChIKey is VRUKHJFSQRZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-16-4-6-17(7-5-16)19(8-14-24-15-9-19)18(23)20-10-2-12-22-13-3-11-21-22/h3-7,11,13H,2,8-10,12,14-15H2,1H3,(H,20,23).
What are the key properties of 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide?
4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 71691265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).