N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide

C17H21FN4O2 — CID 59173806

IUPACN-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
SMILESO=C(CCCN1CCOCC1)Nc1cc(-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H21FN4O2/c18-14-4-1-3-13(11-14)15-12-16(21-20-15)19-17(23)5-2-6-22-7-9-24-10-8-22/h1,3-4,11-12H,2,5-10H2,(H2,19,20,21,23)
InChIKeyXGWFUUWEUYVUOR-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.27
Rot. Bonds6

About N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide

N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide (PubChem CID 59173806) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
PubChem CID59173806
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
SMILESO=C(CCCN1CCOCC1)Nc1cc(-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H21FN4O2/c18-14-4-1-3-13(11-14)15-12-16(21-20-15)19-17(23)5-2-6-22-7-9-24-10-8-22/h1,3-4,11-12H,2,5-10H2,(H2,19,20,21,23)
InChIKeyXGWFUUWEUYVUOR-UHFFFAOYSA-N
XLogP2.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide (CID 59173806) is N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide is O=C(CCCN1CCOCC1)Nc1cc(-c2cccc(F)c2)[nH]n1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide?
The InChIKey is XGWFUUWEUYVUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-14-4-1-3-13(11-14)15-12-16(21-20-15)19-17(23)5-2-6-22-7-9-24-10-8-22/h1,3-4,11-12H,2,5-10H2,(H2,19,20,21,23).
What are the key properties of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide?
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide has a molecular weight of 332.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 59173806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).