4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C19H23N5O — CID 49079499

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccnn3C(C)C)cc2)n1
InChIInChI=1S/C19H23N5O/c1-13(2)24-18(9-10-20-24)21-19(25)17-7-5-16(6-8-17)12-23-15(4)11-14(3)22-23/h5-11,13H,12H2,1-4H3,(H,21,25)
InChIKeyNJJHIKRBATUSTJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.58
Rot. Bonds5

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 49079499) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID49079499
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccnn3C(C)C)cc2)n1
InChIInChI=1S/C19H23N5O/c1-13(2)24-18(9-10-20-24)21-19(25)17-7-5-16(6-8-17)12-23-15(4)11-14(3)22-23/h5-11,13H,12H2,1-4H3,(H,21,25)
InChIKeyNJJHIKRBATUSTJ-UHFFFAOYSA-N
XLogP3.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 49079499) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccnn3C(C)C)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is NJJHIKRBATUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13(2)24-18(9-10-20-24)21-19(25)17-7-5-16(6-8-17)12-23-15(4)11-14(3)22-23/h5-11,13H,12H2,1-4H3,(H,21,25).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 337.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 49079499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).