2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide

C19H23N5O — CID 91835564

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCc1cccc(-n2cc(CN(C)C(=O)Cn3cnc(C)c3C)cn2)c1
InChIInChI=1S/C19H23N5O/c1-14-6-5-7-18(8-14)24-11-17(9-21-24)10-22(4)19(25)12-23-13-20-15(2)16(23)3/h5-9,11,13H,10,12H2,1-4H3
InChIKeyHAHDSISULRDWTO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.65
Rot. Bonds5

About 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide

2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide (PubChem CID 91835564) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide
PubChem CID91835564
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCc1cccc(-n2cc(CN(C)C(=O)Cn3cnc(C)c3C)cn2)c1
InChIInChI=1S/C19H23N5O/c1-14-6-5-7-18(8-14)24-11-17(9-21-24)10-22(4)19(25)12-23-13-20-15(2)16(23)3/h5-9,11,13H,10,12H2,1-4H3
InChIKeyHAHDSISULRDWTO-UHFFFAOYSA-N
XLogP2.65
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide (CID 91835564) is 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide is Cc1cccc(-n2cc(CN(C)C(=O)Cn3cnc(C)c3C)cn2)c1.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide?
The InChIKey is HAHDSISULRDWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-6-5-7-18(8-14)24-11-17(9-21-24)10-22(4)19(25)12-23-13-20-15(2)16(23)3/h5-9,11,13H,10,12H2,1-4H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide?
2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide has a molecular weight of 337.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 91835564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).