N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide

C17H20FN3O2 — CID 46999666

IUPACN-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide
SMILESCc1cnn(Cc2cccc(F)c2)c1NC(=O)C1CCCCO1
InChIInChI=1S/C17H20FN3O2/c1-12-10-19-21(11-13-5-4-6-14(18)9-13)16(12)20-17(22)15-7-2-3-8-23-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,20,22)
InChIKeyVUVRJOVSZJFXRW-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.89
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide

N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide (PubChem CID 46999666) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide
PubChem CID46999666
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide
SMILESCc1cnn(Cc2cccc(F)c2)c1NC(=O)C1CCCCO1
InChIInChI=1S/C17H20FN3O2/c1-12-10-19-21(11-13-5-4-6-14(18)9-13)16(12)20-17(22)15-7-2-3-8-23-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,20,22)
InChIKeyVUVRJOVSZJFXRW-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide (CID 46999666) is N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide is Cc1cnn(Cc2cccc(F)c2)c1NC(=O)C1CCCCO1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide?
The InChIKey is VUVRJOVSZJFXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12-10-19-21(11-13-5-4-6-14(18)9-13)16(12)20-17(22)15-7-2-3-8-23-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,20,22).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide?
N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-2-carboxamide is sourced from PubChem (CID 46999666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).