N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide

C15H17FN4O2 — CID 119680135

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNCCO2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-10-8-14(18-15(21)13-9-17-6-7-22-13)20(19-10)12-4-2-11(16)3-5-12/h2-5,8,13,17H,6-7,9H2,1H3,(H,18,21)
InChIKeyFUHXHZJCYOFXLN-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.25
Rot. Bonds3

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide (PubChem CID 119680135) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide
PubChem CID119680135
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNCCO2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-10-8-14(18-15(21)13-9-17-6-7-22-13)20(19-10)12-4-2-11(16)3-5-12/h2-5,8,13,17H,6-7,9H2,1H3,(H,18,21)
InChIKeyFUHXHZJCYOFXLN-UHFFFAOYSA-N
XLogP1.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide (CID 119680135) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide is Cc1cc(NC(=O)C2CNCCO2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide?
The InChIKey is FUHXHZJCYOFXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-10-8-14(18-15(21)13-9-17-6-7-22-13)20(19-10)12-4-2-11(16)3-5-12/h2-5,8,13,17H,6-7,9H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide is sourced from PubChem (CID 119680135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).