2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine

C11H13ClN4O — CID 104734139

IUPAC2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine
SMILESClCC1CN(c2nccn3nccc23)CCO1
InChIInChI=1S/C11H13ClN4O/c12-7-9-8-15(5-6-17-9)11-10-1-2-14-16(10)4-3-13-11/h1-4,9H,5-8H2
InChIKeyZJIPDPQLBOWMSL-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.17
Rot. Bonds2

About 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine

2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine (PubChem CID 104734139) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine
PubChem CID104734139
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine
SMILESClCC1CN(c2nccn3nccc23)CCO1
InChIInChI=1S/C11H13ClN4O/c12-7-9-8-15(5-6-17-9)11-10-1-2-14-16(10)4-3-13-11/h1-4,9H,5-8H2
InChIKeyZJIPDPQLBOWMSL-UHFFFAOYSA-N
XLogP1.17
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 81210787
4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104734120
2-(chloromethyl)-4-(1-methylimidazol-2-yl)morpholine
CID 81209522
4-[4-(2-chloroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446610
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-amine
CID 91811933
(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)methanamine
CID 104729923
2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
CID 106542980
[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]methanamine
CID 104729881
4-[4-(2-chloroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446615
2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
CID 81209519
4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine
CID 81210904
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-3-carboxamide
CID 172899821

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine (CID 104734139) is 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine is ClCC1CN(c2nccn3nccc23)CCO1.
What is the InChIKey of 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine?
The InChIKey is ZJIPDPQLBOWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-7-9-8-15(5-6-17-9)11-10-1-2-14-16(10)4-3-13-11/h1-4,9H,5-8H2.
What are the key properties of 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine?
2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine has a molecular weight of 252.71 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-pyrazolo[1,5-a]pyrazin-4-ylmorpholine is sourced from PubChem (CID 104734139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).