N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide

C23H23N5O2 — CID 43922007

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H23N5O2/c1-16-21(23(30)28(26(16)3)20-7-5-4-6-8-20)25-22(29)19-11-9-18(10-12-19)15-27-14-13-24-17(27)2/h4-14H,15H2,1-3H3,(H,25,29)
InChIKeyOASUBUAVEFYXOF-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.29
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 43922007) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID43922007
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H23N5O2/c1-16-21(23(30)28(26(16)3)20-7-5-4-6-8-20)25-22(29)19-11-9-18(10-12-19)15-27-14-13-24-17(27)2/h4-14H,15H2,1-3H3,(H,25,29)
InChIKeyOASUBUAVEFYXOF-UHFFFAOYSA-N
XLogP3.29
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32684872
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 92646331
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 1142806
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylsulfanylpyridine-4-carboxamide
CID 55997551
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313715
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 53285976
4-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 1107853
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 43922007) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is Cc1nccn1Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is OASUBUAVEFYXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-21(23(30)28(26(16)3)20-7-5-4-6-8-20)25-22(29)19-11-9-18(10-12-19)15-27-14-13-24-17(27)2/h4-14H,15H2,1-3H3,(H,25,29).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 43922007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).