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

C12H20ClN3O — CID 60795842

IUPAC4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C12H20ClN3O/c1-4-10-8-17-6-5-16(10)7-11-9(2)14-15(3)12(11)13/h10H,4-8H2,1-3H3
InChIKeyPGBMFOBVFAJCEY-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.99
Rot. Bonds3

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

4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine (PubChem CID 60795842) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine
PubChem CID60795842
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C12H20ClN3O/c1-4-10-8-17-6-5-16(10)7-11-9(2)14-15(3)12(11)13/h10H,4-8H2,1-3H3
InChIKeyPGBMFOBVFAJCEY-UHFFFAOYSA-N
XLogP1.99
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine
CID 60796849
methyl 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]morpholine-3-carboxylate
CID 115752698
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
CID 63609341
1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 83099899
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
CID 60795954
N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine
CID 62182581
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1,4-oxazepane
CID 114217691
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine
CID 62890747
1,3-dimethyl-4-[(3-methylmorpholin-4-yl)methyl]-N-propylpyrazol-5-amine
CID 55046406
[1,3-dimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-yl]hydrazine
CID 62246236

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine?
The IUPAC name of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine (CID 60795842) is 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine?
The canonical SMILES for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine is CCC1COCCN1Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine?
The InChIKey is PGBMFOBVFAJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-10-8-17-6-5-16(10)7-11-9(2)14-15(3)12(11)13/h10H,4-8H2,1-3H3.
What are the key properties of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine?
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine has a molecular weight of 257.76 g/mol, XLogP of 1.99, 3 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-ethylmorpholine is sourced from PubChem (CID 60795842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).