N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide

C23H27N3O3 — CID 19293688

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(=O)NCCCn3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C23H27N3O3/c1-17-15-18(2)26(25-17)14-4-13-24-23(27)20-7-5-19(6-8-20)16-29-22-11-9-21(28-3)10-12-22/h5-12,15H,4,13-14,16H2,1-3H3,(H,24,27)
InChIKeyLPIKUUPMOOGKOO-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.91
Rot. Bonds9

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide (PubChem CID 19293688) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
PubChem CID19293688
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(=O)NCCCn3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C23H27N3O3/c1-17-15-18(2)26(25-17)14-4-13-24-23(27)20-7-5-19(6-8-20)16-29-22-11-9-21(28-3)10-12-22/h5-12,15H,4,13-14,16H2,1-3H3,(H,24,27)
InChIKeyLPIKUUPMOOGKOO-UHFFFAOYSA-N
XLogP3.91
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.91
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

4-[(3-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293748
4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293754
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707
methyl 4-[[5-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19293722
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
N-[2-[[N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111278417
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86912648
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 43042198
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
CID 103830443
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293753

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide (CID 19293688) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide is COc1ccc(OCc2ccc(C(=O)NCCCn3nc(C)cc3C)cc2)cc1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
The InChIKey is LPIKUUPMOOGKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-15-18(2)26(25-17)14-4-13-24-23(27)20-7-5-19(6-8-20)16-29-22-11-9-21(28-3)10-12-22/h5-12,15H,4,13-14,16H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 19293688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).