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

C8H12ClN3O — CID 64535065

IUPAC2-[(4-chloropyrazol-1-yl)methyl]morpholine
SMILESClc1cnn(CC2CNCCO2)c1
InChIInChI=1S/C8H12ClN3O/c9-7-3-11-12(5-7)6-8-4-10-1-2-13-8/h3,5,8,10H,1-2,4,6H2
InChIKeyGFKZVESGIDIKIK-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.52
Rot. Bonds2

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

2-[(4-chloropyrazol-1-yl)methyl]morpholine (PubChem CID 64535065) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-[(4-chloropyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(4-chloropyrazol-1-yl)methyl]morpholine
PubChem CID64535065
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-[(4-chloropyrazol-1-yl)methyl]morpholine
SMILESClc1cnn(CC2CNCCO2)c1
InChIInChI=1S/C8H12ClN3O/c9-7-3-11-12(5-7)6-8-4-10-1-2-13-8/h3,5,8,10H,1-2,4,6H2
InChIKeyGFKZVESGIDIKIK-UHFFFAOYSA-N
XLogP0.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholine, 2-(1H-pyrazol-1-ylmethyl)-
CID 54592633
(2-{4-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]morpholin-2-yl}ethyl)amine
CID 91844386
2-[[4-(Trifluoromethyl)pyrazol-1-yl]methyl]morpholine
CID 64535067
(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 52908184
(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 52908186
Ethyl 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanimidate
CID 117966314
Ethyl 2-(4-chloro-1H-pyrazol-1-yl)propanimidate
CID 117966342
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 162476762
1,4-Dimethylpyrazole;ethane;molecular hydrogen;morpholine
CID 171656456
1-Methylpyrazole;morpholine
CID 178730360
2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19524869
2-(4-chloropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19525059

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloropyrazol-1-yl)methyl]morpholine?
The IUPAC name of 2-[(4-chloropyrazol-1-yl)methyl]morpholine (CID 64535065) is 2-[(4-chloropyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(4-chloropyrazol-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(4-chloropyrazol-1-yl)methyl]morpholine is Clc1cnn(CC2CNCCO2)c1.
What is the InChIKey of 2-[(4-chloropyrazol-1-yl)methyl]morpholine?
The InChIKey is GFKZVESGIDIKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c9-7-3-11-12(5-7)6-8-4-10-1-2-13-8/h3,5,8,10H,1-2,4,6H2.
What are the key properties of 2-[(4-chloropyrazol-1-yl)methyl]morpholine?
2-[(4-chloropyrazol-1-yl)methyl]morpholine has a molecular weight of 201.66 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloropyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 64535065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).