1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide

C19H27N3O3 — CID 19275198

IUPAC1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCc1ccc(OCn2ccc(C(=O)NCCCOC(C)C)n2)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-14(2)24-11-5-9-20-19(23)17-8-10-22(21-17)13-25-18-7-6-15(3)12-16(18)4/h6-8,10,12,14H,5,9,11,13H2,1-4H3,(H,20,23)
InChIKeyFPGZPQQGKBMMCP-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.08
Rot. Bonds9

About 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide

1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (PubChem CID 19275198) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
PubChem CID19275198
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCc1ccc(OCn2ccc(C(=O)NCCCOC(C)C)n2)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-14(2)24-11-5-9-20-19(23)17-8-10-22(21-17)13-25-18-7-6-15(3)12-16(18)4/h6-8,10,12,14H,5,9,11,13H2,1-4H3,(H,20,23)
InChIKeyFPGZPQQGKBMMCP-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.08
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

1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19275783
1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275041
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19275009
1-[(2,5-dimethylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19272997
1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19275127
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276061
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514
1-[(2,4-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19582495
1-[(2,4-dimethylphenoxy)methyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide
CID 98273401
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19277716
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
1-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265323

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (CID 19275198) is 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is Cc1ccc(OCn2ccc(C(=O)NCCCOC(C)C)n2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The InChIKey is FPGZPQQGKBMMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)24-11-5-9-20-19(23)17-8-10-22(21-17)13-25-18-7-6-15(3)12-16(18)4/h6-8,10,12,14H,5,9,11,13H2,1-4H3,(H,20,23).
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19275198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).