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

C17H23N3O2 — CID 78881499

IUPAC5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)15-10-13(18-19-15)16(21)20(4)11-12-8-6-7-9-14(12)22-5/h6-10H,11H2,1-5H3,(H,18,19)
InChIKeyZNSXSKWCUJVHKY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.99
Rot. Bonds4

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

5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 78881499) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID78881499
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)15-10-13(18-19-15)16(21)20(4)11-12-8-6-7-9-14(12)22-5/h6-10H,11H2,1-5H3,(H,18,19)
InChIKeyZNSXSKWCUJVHKY-UHFFFAOYSA-N
XLogP2.99
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881544
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 42515322
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 78880740
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 31234095
5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
4-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102134
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 78881499) is 5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is COc1ccccc1CN(C)C(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZNSXSKWCUJVHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)15-10-13(18-19-15)16(21)20(4)11-12-8-6-7-9-14(12)22-5/h6-10H,11H2,1-5H3,(H,18,19).
What are the key properties of 5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78881499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).