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

C20H24ClN5O3S — CID 78814869

IUPAC4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(-c2ccccc2)c(Cl)c1Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C20H24ClN5O3S/c1-14-18(20(21)26(23-14)17-7-5-4-6-8-17)13-25-16(3)19(15(2)22-25)30(27,28)24-9-11-29-12-10-24/h4-8H,9-13H2,1-3H3
InChIKeyDWYAUXVPWIDWLN-UHFFFAOYSA-N
MW449.96 g/mol
LogP2.72
Rot. Bonds5

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

4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (PubChem CID 78814869) has the molecular formula C20H24ClN5O3S and a molecular weight of 449.96 g/mol. Its IUPAC name is 4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
PubChem CID78814869
Molecular FormulaC20H24ClN5O3S
Molecular Weight449.96 g/mol
Exact Mass449.13
IUPAC Name4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(-c2ccccc2)c(Cl)c1Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C20H24ClN5O3S/c1-14-18(20(21)26(23-14)17-7-5-4-6-8-17)13-25-16(3)19(15(2)22-25)30(27,28)24-9-11-29-12-10-24/h4-8H,9-13H2,1-3H3
InChIKeyDWYAUXVPWIDWLN-UHFFFAOYSA-N
XLogP2.72
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 17411925
4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 78881093
1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
CID 22208018
1-(benzenesulfonyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 90483064
N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8561430
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propan-1-one
CID 46345151
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 53139563
1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 9473665
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8562074
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 8561748
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-3-fluorobenzonitrile
CID 51295478

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (CID 78814869) is 4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is Cc1nn(-c2ccccc2)c(Cl)c1Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C.
What is the InChIKey of 4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The InChIKey is DWYAUXVPWIDWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3S/c1-14-18(20(21)26(23-14)17-7-5-4-6-8-17)13-25-16(3)19(15(2)22-25)30(27,28)24-9-11-29-12-10-24/h4-8H,9-13H2,1-3H3.
What are the key properties of 4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine has a molecular weight of 449.96 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 78814869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).