2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide

C20H23N5O — CID 166260859

IUPAC2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide
SMILESCC(C)(C)c1ccnc(NC(=O)Cc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C20H23N5O/c1-20(2,3)17-9-10-21-19(23-17)24-18(26)11-16-12-22-25(14-16)13-15-7-5-4-6-8-15/h4-10,12,14H,11,13H2,1-3H3,(H,21,23,24,26)
InChIKeyCQVWACRMWBHGRK-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.20
Rot. Bonds5

About 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide

2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide (PubChem CID 166260859) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide
PubChem CID166260859
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide
SMILESCC(C)(C)c1ccnc(NC(=O)Cc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C20H23N5O/c1-20(2,3)17-9-10-21-19(23-17)24-18(26)11-16-12-22-25(14-16)13-15-7-5-4-6-8-15/h4-10,12,14H,11,13H2,1-3H3,(H,21,23,24,26)
InChIKeyCQVWACRMWBHGRK-UHFFFAOYSA-N
XLogP3.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
2-(1-benzylpyrazol-4-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 166259503
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90652784
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
5-(1-benzylpyrazol-4-yl)-3-oxopentanamide
CID 166794222
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 164637913
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
2-[[(1-benzylpyrazol-4-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129185
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide (CID 166260859) is 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide is CC(C)(C)c1ccnc(NC(=O)Cc2cnn(Cc3ccccc3)c2)n1.
What is the InChIKey of 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide?
The InChIKey is CQVWACRMWBHGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-20(2,3)17-9-10-21-19(23-17)24-18(26)11-16-12-22-25(14-16)13-15-7-5-4-6-8-15/h4-10,12,14H,11,13H2,1-3H3,(H,21,23,24,26).
What are the key properties of 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide?
2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 166260859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).