N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide

C18H25N3O2 — CID 4795855

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCCCn2nc(C)cc2C)c1
InChIInChI=1S/C18H25N3O2/c1-14-6-4-7-17(12-14)23-11-8-18(22)19-9-5-10-21-16(3)13-15(2)20-21/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,19,22)
InChIKeyOZXSNJKLYUUOES-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.78
Rot. Bonds8

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide (PubChem CID 4795855) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide
PubChem CID4795855
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCCCn2nc(C)cc2C)c1
InChIInChI=1S/C18H25N3O2/c1-14-6-4-7-17(12-14)23-11-8-18(22)19-9-5-10-21-16(3)13-15(2)20-21/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,19,22)
InChIKeyOZXSNJKLYUUOES-UHFFFAOYSA-N
XLogP2.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562154
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467311
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
1-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenoxy)butan-1-one
CID 94281917
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine
CID 111279153

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide (CID 4795855) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCCCn2nc(C)cc2C)c1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is OZXSNJKLYUUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-6-4-7-17(12-14)23-11-8-18(22)19-9-5-10-21-16(3)13-15(2)20-21/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 4795855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).