N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide

C25H32N4O2 — CID 55869748

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
SMILESCc1ccccc1OCCCN(C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C25H32N4O2/c1-19-11-8-9-14-23(19)31-18-10-16-28(4)17-15-24(30)26-25-20(2)27-29(21(25)3)22-12-6-5-7-13-22/h5-9,11-14H,10,15-18H2,1-4H3,(H,26,30)
InChIKeyGXXSLCWITTXQGV-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.53
Rot. Bonds10

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide (PubChem CID 55869748) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
PubChem CID55869748
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
SMILESCc1ccccc1OCCCN(C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C25H32N4O2/c1-19-11-8-9-14-23(19)31-18-10-16-28(4)17-15-24(30)26-25-20(2)27-29(21(25)3)22-12-6-5-7-13-22/h5-9,11-14H,10,15-18H2,1-4H3,(H,26,30)
InChIKeyGXXSLCWITTXQGV-UHFFFAOYSA-N
XLogP4.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 110935836
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841671
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 26430816
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 60517240
2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826187
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 55481941
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7703650
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8712451
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 71942657
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841934

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide (CID 55869748) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide is Cc1ccccc1OCCCN(C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide?
The InChIKey is GXXSLCWITTXQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19-11-8-9-14-23(19)31-18-10-16-28(4)17-15-24(30)26-25-20(2)27-29(21(25)3)22-12-6-5-7-13-22/h5-9,11-14H,10,15-18H2,1-4H3,(H,26,30).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide has a molecular weight of 420.56 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide is sourced from PubChem (CID 55869748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).