2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine

C13H17ClN4O — CID 102937075

IUPAC2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
SMILESCc1cc2c(N3CC(C)OC(CCl)C3)nccn2n1
InChIInChI=1S/C13H17ClN4O/c1-9-5-12-13(15-3-4-18(12)16-9)17-7-10(2)19-11(6-14)8-17/h3-5,10-11H,6-8H2,1-2H3
InChIKeyOGHNPPKWERDHTG-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.87
Rot. Bonds2

About 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine

2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine (PubChem CID 102937075) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
PubChem CID102937075
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
SMILESCc1cc2c(N3CC(C)OC(CCl)C3)nccn2n1
InChIInChI=1S/C13H17ClN4O/c1-9-5-12-13(15-3-4-18(12)16-9)17-7-10(2)19-11(6-14)8-17/h3-5,10-11H,6-8H2,1-2H3
InChIKeyOGHNPPKWERDHTG-UHFFFAOYSA-N
XLogP1.87
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.87
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

[6-methyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]methanamine
CID 102938602
4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 104733876
2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine
CID 102937094
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 133487949
4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 104733894
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-one
CID 104730047
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine
CID 114276586
4-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 155942024
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 166601620
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylic acid
CID 104729453

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine (CID 102937075) is 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine is Cc1cc2c(N3CC(C)OC(CCl)C3)nccn2n1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine?
The InChIKey is OGHNPPKWERDHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-9-5-12-13(15-3-4-18(12)16-9)17-7-10(2)19-11(6-14)8-17/h3-5,10-11H,6-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine?
2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine has a molecular weight of 280.76 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine is sourced from PubChem (CID 102937075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).