N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide

C20H29N3O2 — CID 2811236

IUPACN-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C(C)(C)C)nn(C)c2C(C)(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-19(2,3)16-15(17(20(4,5)6)23(7)22-16)21-18(24)13-9-11-14(25-8)12-10-13/h9-12H,1-8H3,(H,21,24)
InChIKeyVOCYRDJHYJCIDF-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.28
Rot. Bonds3

About N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide

N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide (PubChem CID 2811236) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
PubChem CID2811236
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C(C)(C)C)nn(C)c2C(C)(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-19(2,3)16-15(17(20(4,5)6)23(7)22-16)21-18(24)13-9-11-14(25-8)12-10-13/h9-12H,1-8H3,(H,21,24)
InChIKeyVOCYRDJHYJCIDF-UHFFFAOYSA-N
XLogP4.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Bromo-3,5-dimethylpyrazol-1-yl)(4-methoxyphenyl)methanone
CID 714833
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
5-(4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832625
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 39854197
N-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7831121
2-[1-[[4-[(4-Methoxybenzoyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 53345925
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide
CID 895159
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-{[1-(3-methoxypropanoyl)-4-piperidinyl]oxy}benzamide
CID 24790451
4-butoxy-N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]benzamide
CID 25163781
N-[1-(4-methoxybenzoyl)-3,5-dimethylpyrazole-4-yl]-4-methoxybenzamide
CID 76308009

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide?
The IUPAC name of N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide (CID 2811236) is N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide?
The canonical SMILES for N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C(C)(C)C)nn(C)c2C(C)(C)C)cc1.
What is the InChIKey of N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide?
The InChIKey is VOCYRDJHYJCIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-19(2,3)16-15(17(20(4,5)6)23(7)22-16)21-18(24)13-9-11-14(25-8)12-10-13/h9-12H,1-8H3,(H,21,24).
What are the key properties of N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide?
N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide has a molecular weight of 343.47 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 2811236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).