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

C7H10ClN3O — CID 84770590

IUPAC3-(5-chloro-1H-pyrazol-4-yl)morpholine
SMILESClc1[nH]ncc1C1COCCN1
InChIInChI=1S/C7H10ClN3O/c8-7-5(3-10-11-7)6-4-12-2-1-9-6/h3,6,9H,1-2,4H2,(H,10,11)
InChIKeyVTJKHKDLFRDIFW-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.72
Rot. Bonds1

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

3-(5-chloro-1H-pyrazol-4-yl)morpholine (PubChem CID 84770590) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-(5-chloro-1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name3-(5-chloro-1H-pyrazol-4-yl)morpholine
PubChem CID84770590
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name3-(5-chloro-1H-pyrazol-4-yl)morpholine
SMILESClc1[nH]ncc1C1COCCN1
InChIInChI=1S/C7H10ClN3O/c8-7-5(3-10-11-7)6-4-12-2-1-9-6/h3,6,9H,1-2,4H2,(H,10,11)
InChIKeyVTJKHKDLFRDIFW-UHFFFAOYSA-N
XLogP0.72
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-pyrazol-4-yl)morpholine?
The IUPAC name of 3-(5-chloro-1H-pyrazol-4-yl)morpholine (CID 84770590) is 3-(5-chloro-1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for 3-(5-chloro-1H-pyrazol-4-yl)morpholine?
The canonical SMILES for 3-(5-chloro-1H-pyrazol-4-yl)morpholine is Clc1[nH]ncc1C1COCCN1.
What is the InChIKey of 3-(5-chloro-1H-pyrazol-4-yl)morpholine?
The InChIKey is VTJKHKDLFRDIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c8-7-5(3-10-11-7)6-4-12-2-1-9-6/h3,6,9H,1-2,4H2,(H,10,11).
What are the key properties of 3-(5-chloro-1H-pyrazol-4-yl)morpholine?
3-(5-chloro-1H-pyrazol-4-yl)morpholine has a molecular weight of 187.63 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 84770590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).