1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol

C16H19ClFN3O2 — CID 109411995

IUPAC1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1nccc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN3O2/c17-14-9-12(1-2-15(14)18)16-3-4-19-21(16)11-13(22)10-20-5-7-23-8-6-20/h1-4,9,13,22H,5-8,10-11H2
InChIKeyKQVJABDEQXSMPU-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.04
Rot. Bonds5

About 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 109411995) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID109411995
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC Name1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1nccc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN3O2/c17-14-9-12(1-2-15(14)18)16-3-4-19-21(16)11-13(22)10-20-5-7-23-8-6-20/h1-4,9,13,22H,5-8,10-11H2
InChIKeyKQVJABDEQXSMPU-UHFFFAOYSA-N
XLogP2.04
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 109411995) is 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)Cn1nccc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is KQVJABDEQXSMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c17-14-9-12(1-2-15(14)18)16-3-4-19-21(16)11-13(22)10-20-5-7-23-8-6-20/h1-4,9,13,22H,5-8,10-11H2.
What are the key properties of 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 339.80 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 109411995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).