4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine

C15H17ClFN3O — CID 140655061

IUPAC4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
SMILESCc1nn(C)c(N2CCOCC2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3O/c1-10-14(12-4-3-11(17)9-13(12)16)15(19(2)18-10)20-5-7-21-8-6-20/h3-4,9H,5-8H2,1-2H3
InChIKeySOGYGSTYOFZGLZ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.02
Rot. Bonds2

About 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine

4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine (PubChem CID 140655061) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
PubChem CID140655061
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
SMILESCc1nn(C)c(N2CCOCC2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3O/c1-10-14(12-4-3-11(17)9-13(12)16)15(19(2)18-10)20-5-7-21-8-6-20/h3-4,9H,5-8H2,1-2H3
InChIKeySOGYGSTYOFZGLZ-UHFFFAOYSA-N
XLogP3.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121498404
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-5,7-difluorobenzimidazole
CID 137458561
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole
CID 137458585
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile
CID 137458422
4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole
CID 141279737
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-fluorobenzimidazole-5-carboxamide
CID 137458400
3-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-6-nitrobenzimidazole-4-carboxylic acid
CID 142521605
5-[bromo-(2,4-difluorophenyl)methyl]-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole
CID 66765584
ethyl 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carboxylate
CID 137458351
N-(2-bromo-6-methylphenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
CID 66612593
5-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 66614030
4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115505122

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine?
The IUPAC name of 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine (CID 140655061) is 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine is Cc1nn(C)c(N2CCOCC2)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine?
The InChIKey is SOGYGSTYOFZGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-10-14(12-4-3-11(17)9-13(12)16)15(19(2)18-10)20-5-7-21-8-6-20/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine?
4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine has a molecular weight of 309.77 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine is sourced from PubChem (CID 140655061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).