[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone

C15H16ClN3O3 — CID 4776382

IUPAC[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnn1COc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C15H16ClN3O3/c16-12-1-3-13(4-2-12)22-11-19-14(5-6-17-19)15(20)18-7-9-21-10-8-18/h1-6H,7-11H2
InChIKeyXYRZZEDOKDIMOT-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.05
Rot. Bonds4

About [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone

[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 4776382) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID4776382
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnn1COc1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C15H16ClN3O3/c16-12-1-3-13(4-2-12)22-11-19-14(5-6-17-19)15(20)18-7-9-21-10-8-18/h1-6H,7-11H2
InChIKeyXYRZZEDOKDIMOT-UHFFFAOYSA-N
XLogP2.05
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chlorophenyl 1-ethyl-1H-pyrazole-3-carboxylate
CID 892993
(7R)-2-[(4-chlorophenoxy)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190321
(4-Chloro-2-methylpyrazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6469727
1-[(2-Chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4773972
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(thiomorpholin-4-yl)methanone
CID 4776307
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(pyrrolidin-1-yl)methanone
CID 4863056
(4-Chloro-2-methyl-3-pyrazolyl)-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone
CID 6464877
methyl 1-[(4-chlorophenoxy)methyl]-1H-pyrazole-5-carboxylate
CID 7017645
N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19265186
1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19269279
1-[(4-fluorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19269470
N-(3-morpholin-4-ylpropyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271082

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 4776382) is [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone is O=C(c1ccnn1COc1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XYRZZEDOKDIMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c16-12-1-3-13(4-2-12)22-11-19-14(5-6-17-19)15(20)18-7-9-21-10-8-18/h1-6H,7-11H2.
What are the key properties of [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone?
[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 321.76 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 4776382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).