N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide

C21H23N3O2 — CID 42730468

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)18-14-19(24(23-18)15-10-6-5-7-11-15)22-20(25)16-12-8-9-13-17(16)26-4/h5-14H,1-4H3,(H,22,25)
InChIKeyVWRVORCCHJPWEU-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.43
Rot. Bonds4

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide (PubChem CID 42730468) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
PubChem CID42730468
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)18-14-19(24(23-18)15-10-6-5-7-11-15)22-20(25)16-12-8-9-13-17(16)26-4/h5-14H,1-4H3,(H,22,25)
InChIKeyVWRVORCCHJPWEU-UHFFFAOYSA-N
XLogP4.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide
CID 42740944
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 142696740
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 3467308
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide
CID 46087955
2-bromo-N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-5-methoxybenzamide
CID 46088061
N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide
CID 4242290

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide (CID 42730468) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide?
The InChIKey is VWRVORCCHJPWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,3)18-14-19(24(23-18)15-10-6-5-7-11-15)22-20(25)16-12-8-9-13-17(16)26-4/h5-14H,1-4H3,(H,22,25).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide has a molecular weight of 349.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 42730468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).