N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide

C15H17FN4O2 — CID 20780902

IUPACN-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide
SMILESCc1cc(F)n(-c2ccc(NC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-11-10-14(16)20(18-11)13-4-2-12(3-5-13)17-15(21)19-6-8-22-9-7-19/h2-5,10H,6-9H2,1H3,(H,17,21)
InChIKeyPNTUFURHPCGZAQ-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.18
Rot. Bonds2

About N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide

N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide (PubChem CID 20780902) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide
PubChem CID20780902
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC NameN-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide
SMILESCc1cc(F)n(-c2ccc(NC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-11-10-14(16)20(18-11)13-4-2-12(3-5-13)17-15(21)19-6-8-22-9-7-19/h2-5,10H,6-9H2,1H3,(H,17,21)
InChIKeyPNTUFURHPCGZAQ-UHFFFAOYSA-N
XLogP2.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide (CID 20780902) is N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide is Cc1cc(F)n(-c2ccc(NC(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is PNTUFURHPCGZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-11-10-14(16)20(18-11)13-4-2-12(3-5-13)17-15(21)19-6-8-22-9-7-19/h2-5,10H,6-9H2,1H3,(H,17,21).
What are the key properties of N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide?
N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-3-methylpyrazol-1-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 20780902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).