2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone

C19H24ClN3O2 — CID 86998388

IUPAC2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C19H24ClN3O2/c1-13-17(11-18(24)22-9-10-25-19(3,4)12-22)14(2)23(21-13)16-7-5-15(20)6-8-16/h5-8H,9-12H2,1-4H3
InChIKeyLVQYRCXTTWORFH-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.32
Rot. Bonds3

About 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone (PubChem CID 86998388) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone
PubChem CID86998388
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C19H24ClN3O2/c1-13-17(11-18(24)22-9-10-25-19(3,4)12-22)14(2)23(21-13)16-7-5-15(20)6-8-16/h5-8H,9-12H2,1-4H3
InChIKeyLVQYRCXTTWORFH-UHFFFAOYSA-N
XLogP3.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone (CID 86998388) is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone is Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone?
The InChIKey is LVQYRCXTTWORFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-13-17(11-18(24)22-9-10-25-19(3,4)12-22)14(2)23(21-13)16-7-5-15(20)6-8-16/h5-8H,9-12H2,1-4H3.
What are the key properties of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone?
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone has a molecular weight of 361.87 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,2-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 86998388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).