4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine

C11H18ClN3O — CID 60796849

IUPAC4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine
SMILESCc1nn(C)c(Cl)c1CN1CCOCC1C
InChIInChI=1S/C11H18ClN3O/c1-8-7-16-5-4-15(8)6-10-9(2)13-14(3)11(10)12/h8H,4-7H2,1-3H3
InChIKeyHHPGRVYVHBVWCY-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.60
Rot. Bonds2

About 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine

4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine (PubChem CID 60796849) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine
PubChem CID60796849
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine
SMILESCc1nn(C)c(Cl)c1CN1CCOCC1C
InChIInChI=1S/C11H18ClN3O/c1-8-7-16-5-4-15(8)6-10-9(2)13-14(3)11(10)12/h8H,4-7H2,1-3H3
InChIKeyHHPGRVYVHBVWCY-UHFFFAOYSA-N
XLogP1.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine
CID 60795842
N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine
CID 62182581
[1,3-dimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-yl]hydrazine
CID 62246236
methyl 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]morpholine-3-carboxylate
CID 115752698
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
CID 60795954
1,3-dimethyl-4-[(3-methylmorpholin-4-yl)methyl]-N-propylpyrazol-5-amine
CID 55046406
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744710
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine
CID 114592925
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 104862078
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 60796486
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 51301699

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine?
The IUPAC name of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine (CID 60796849) is 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine.
What is the SMILES notation for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine?
The canonical SMILES for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine is Cc1nn(C)c(Cl)c1CN1CCOCC1C.
What is the InChIKey of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine?
The InChIKey is HHPGRVYVHBVWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8-7-16-5-4-15(8)6-10-9(2)13-14(3)11(10)12/h8H,4-7H2,1-3H3.
What are the key properties of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine?
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine has a molecular weight of 243.74 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine is sourced from PubChem (CID 60796849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).