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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Related Compounds

(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
2-(2-chloro-4-morpholin-2-ylphenyl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]ethanone
CID 158558850
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047409
1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175893602
ethane;2-(1-methylpyrazol-4-yl)morpholine
CID 177151428
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
CID 90047286
azane;2-phenylmorpholine
CID 174664757
2-(3-chloro-1-methylindol-5-yl)morpholine
CID 117380161
(2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine
CID 67135313
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722

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).