5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C18H25N3O3 — CID 78881544

IUPAC5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(C(C)(C)C)[nH]n2)c(OC)c1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)16-10-14(19-20-16)17(22)21(4)11-12-7-8-13(23-5)9-15(12)24-6/h7-10H,11H2,1-6H3,(H,19,20)
InChIKeyIBURVDRSMCLYRZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.00
Rot. Bonds5

About 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 78881544) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID78881544
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(C(C)(C)C)[nH]n2)c(OC)c1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)16-10-14(19-20-16)17(22)21(4)11-12-7-8-13(23-5)9-15(12)24-6/h7-10H,11H2,1-6H3,(H,19,20)
InChIKeyIBURVDRSMCLYRZ-UHFFFAOYSA-N
XLogP3.00
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881499
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 47230621
5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 78880740
2-(2-aminoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617472
4-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 27774409
2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18209236

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 78881544) is 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is COc1ccc(CN(C)C(=O)c2cc(C(C)(C)C)[nH]n2)c(OC)c1.
What is the InChIKey of 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is IBURVDRSMCLYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)16-10-14(19-20-16)17(22)21(4)11-12-7-8-13(23-5)9-15(12)24-6/h7-10H,11H2,1-6H3,(H,19,20).
What are the key properties of 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78881544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).