5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol

C9H14ClN3O2 — CID 117233213

IUPAC5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol
SMILESOc1cnn(CCN2CCOCC2)c1Cl
InChIInChI=1S/C9H14ClN3O2/c10-9-8(14)7-11-13(9)2-1-12-3-5-15-6-4-12/h7,14H,1-6H2
InChIKeyQLFNVYRNJZFGBE-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.57
Rot. Bonds3

About 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol

5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol (PubChem CID 117233213) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol.

Molecular Properties

Compound Name5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol
PubChem CID117233213
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol
SMILESOc1cnn(CCN2CCOCC2)c1Cl
InChIInChI=1S/C9H14ClN3O2/c10-9-8(14)7-11-13(9)2-1-12-3-5-15-6-4-12/h7,14H,1-6H2
InChIKeyQLFNVYRNJZFGBE-UHFFFAOYSA-N
XLogP0.57
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethyl]morpholine
CID 117233214
1-(2-morpholin-4-ylethyl)indazol-5-amine
CID 57416135
4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
CID 117233224
5-chloro-1-(3-methoxypropyl)pyrazol-4-ol
CID 117231712
4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one
CID 115773650
lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate
CID 164526522
7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
CID 90128431
4-(2-hydroxysulfanylethyl)morpholine
CID 166162246
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
4-[2-(2H-triazol-4-yl)ethyl]morpholine
CID 54167756
3-morpholin-4-ylpropanoyl chloride
CID 18967893

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol?
The IUPAC name of 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol (CID 117233213) is 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol.
What is the SMILES notation for 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol?
The canonical SMILES for 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol is Oc1cnn(CCN2CCOCC2)c1Cl.
What is the InChIKey of 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol?
The InChIKey is QLFNVYRNJZFGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c10-9-8(14)7-11-13(9)2-1-12-3-5-15-6-4-12/h7,14H,1-6H2.
What are the key properties of 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol?
5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol has a molecular weight of 231.68 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol is sourced from PubChem (CID 117233213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).