3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine

C13H14ClN3O — CID 177307197

IUPAC3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine
SMILESClc1cc(-c2cn[nH]c2)cc(C2COCCN2)c1
InChIInChI=1S/C13H14ClN3O/c14-12-4-9(11-6-16-17-7-11)3-10(5-12)13-8-18-2-1-15-13/h3-7,13,15H,1-2,8H2,(H,16,17)
InChIKeySASGCBWKUHIRMB-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.39
Rot. Bonds2

About 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine

3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine (PubChem CID 177307197) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine.

Molecular Properties

Compound Name3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine
PubChem CID177307197
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine
SMILESClc1cc(-c2cn[nH]c2)cc(C2COCCN2)c1
InChIInChI=1S/C13H14ClN3O/c14-12-4-9(11-6-16-17-7-11)3-10(5-12)13-8-18-2-1-15-13/h3-7,13,15H,1-2,8H2,(H,16,17)
InChIKeySASGCBWKUHIRMB-UHFFFAOYSA-N
XLogP2.39
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine?
The IUPAC name of 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine (CID 177307197) is 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine.
What is the SMILES notation for 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine?
The canonical SMILES for 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine is Clc1cc(-c2cn[nH]c2)cc(C2COCCN2)c1.
What is the InChIKey of 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine?
The InChIKey is SASGCBWKUHIRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-12-4-9(11-6-16-17-7-11)3-10(5-12)13-8-18-2-1-15-13/h3-7,13,15H,1-2,8H2,(H,16,17).
What are the key properties of 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine?
3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine has a molecular weight of 263.73 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(1H-pyrazol-4-yl)phenyl]morpholine is sourced from PubChem (CID 177307197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).