2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine

C13H14ClN3O — CID 117414129

IUPAC2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine
SMILESClc1cnn(-c2ccc(C3CNCCO3)cc2)c1
InChIInChI=1S/C13H14ClN3O/c14-11-7-16-17(9-11)12-3-1-10(2-4-12)13-8-15-5-6-18-13/h1-4,7,9,13,15H,5-6,8H2
InChIKeyHFZNKAFFNLTUMH-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.19
Rot. Bonds2

About 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine

2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine (PubChem CID 117414129) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine.

Molecular Properties

Compound Name2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine
PubChem CID117414129
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine
SMILESClc1cnn(-c2ccc(C3CNCCO3)cc2)c1
InChIInChI=1S/C13H14ClN3O/c14-11-7-16-17(9-11)12-3-1-10(2-4-12)13-8-15-5-6-18-13/h1-4,7,9,13,15H,5-6,8H2
InChIKeyHFZNKAFFNLTUMH-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine?
The IUPAC name of 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine (CID 117414129) is 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine.
What is the SMILES notation for 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine?
The canonical SMILES for 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine is Clc1cnn(-c2ccc(C3CNCCO3)cc2)c1.
What is the InChIKey of 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine?
The InChIKey is HFZNKAFFNLTUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-7-16-17(9-11)12-3-1-10(2-4-12)13-8-15-5-6-18-13/h1-4,7,9,13,15H,5-6,8H2.
What are the key properties of 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine?
2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine has a molecular weight of 263.73 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine is sourced from PubChem (CID 117414129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).