1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide

C20H29N3O3 — CID 19273902

IUPAC1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C20H29N3O3/c1-5-25-14-6-12-21-19(24)18-11-13-23(22-18)15-26-17-9-7-16(8-10-17)20(2,3)4/h7-11,13H,5-6,12,14-15H2,1-4H3,(H,21,24)
InChIKeyMSAQGUUTHKARAV-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.37
Rot. Bonds9

About 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide

1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide (PubChem CID 19273902) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
PubChem CID19273902
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C20H29N3O3/c1-5-25-14-6-12-21-19(24)18-11-13-23(22-18)15-26-17-9-7-16(8-10-17)20(2,3)4/h7-11,13H,5-6,12,14-15H2,1-4H3,(H,21,24)
InChIKeyMSAQGUUTHKARAV-UHFFFAOYSA-N
XLogP3.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.37
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-ethoxypropyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269479
1-[(2,5-dimethylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19272997
4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400129
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19274914
N-(3-methoxypropyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276079
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19274612
1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide
CID 19269231
1-[(4-tert-butylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19273684
1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275922
N-hexyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275835
N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273294
1-[(4-bromophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19272514

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide (CID 19273902) is 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide is CCOCCCNC(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide?
The InChIKey is MSAQGUUTHKARAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-25-14-6-12-21-19(24)18-11-13-23(22-18)15-26-17-9-7-16(8-10-17)20(2,3)4/h7-11,13H,5-6,12,14-15H2,1-4H3,(H,21,24).
What are the key properties of 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide?
1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19273902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).