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

C20H25N5O — CID 70776438

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3cncn3CC(C)C)cc2)n1
InChIInChI=1S/C20H25N5O/c1-14(2)12-24-13-21-10-19(24)11-22-20(26)17-5-7-18(8-6-17)25-16(4)9-15(3)23-25/h5-10,13-14H,11-12H2,1-4H3,(H,22,26)
InChIKeyRQRNGHYPHSQPLS-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.27
Rot. Bonds6

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

4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide (PubChem CID 70776438) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
PubChem CID70776438
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3cncn3CC(C)C)cc2)n1
InChIInChI=1S/C20H25N5O/c1-14(2)12-24-13-21-10-19(24)11-22-20(26)17-5-7-18(8-6-17)25-16(4)9-15(3)23-25/h5-10,13-14H,11-12H2,1-4H3,(H,22,26)
InChIKeyRQRNGHYPHSQPLS-UHFFFAOYSA-N
XLogP3.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.27
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)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide (CID 70776438) is 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3cncn3CC(C)C)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
The InChIKey is RQRNGHYPHSQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14(2)12-24-13-21-10-19(24)11-22-20(26)17-5-7-18(8-6-17)25-16(4)9-15(3)23-25/h5-10,13-14H,11-12H2,1-4H3,(H,22,26).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.27, 6 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)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide is sourced from PubChem (CID 70776438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).