N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide

C16H21N3O2 — CID 86860510

IUPACN-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cnn(C(C)(C)C)c2)ccc1C
InChIInChI=1S/C16H21N3O2/c1-11-6-7-12(8-14(11)21-5)15(20)18-13-9-17-19(10-13)16(2,3)4/h6-10H,1-5H3,(H,18,20)
InChIKeyNNKXZLGMSBWCJR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.21
Rot. Bonds3

About N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide

N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide (PubChem CID 86860510) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
PubChem CID86860510
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cnn(C(C)(C)C)c2)ccc1C
InChIInChI=1S/C16H21N3O2/c1-11-6-7-12(8-14(11)21-5)15(20)18-13-9-17-19(10-13)16(2,3)4/h6-10H,1-5H3,(H,18,20)
InChIKeyNNKXZLGMSBWCJR-UHFFFAOYSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
CID 71448798
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86860467
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
3-methoxy-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 26585658
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
CID 64793166
N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide
CID 155778849
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410996

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide (CID 86860510) is N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cnn(C(C)(C)C)c2)ccc1C.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide?
The InChIKey is NNKXZLGMSBWCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-7-12(8-14(11)21-5)15(20)18-13-9-17-19(10-13)16(2,3)4/h6-10H,1-5H3,(H,18,20).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide?
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide has a molecular weight of 287.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 86860510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).