4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C25H28N4O3 — CID 92873032

IUPAC4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C25H28N4O3/c1-16-6-8-19(9-7-16)23-17(2)28-29(24(23)27-18(3)30)21-12-10-20(11-13-21)25(31)26-15-22-5-4-14-32-22/h6-13,22H,4-5,14-15H2,1-3H3,(H,26,31)(H,27,30)/t22-/m1/s1
InChIKeyNBCIEHBUIVJHTA-JOCHJYFZSA-N
MW432.52 g/mol
LogP4.02
Rot. Bonds6

About 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 92873032) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID92873032
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C25H28N4O3/c1-16-6-8-19(9-7-16)23-17(2)28-29(24(23)27-18(3)30)21-12-10-20(11-13-21)25(31)26-15-22-5-4-14-32-22/h6-13,22H,4-5,14-15H2,1-3H3,(H,26,31)(H,27,30)/t22-/m1/s1
InChIKeyNBCIEHBUIVJHTA-JOCHJYFZSA-N
XLogP4.02
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44763707
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
CID 46334938
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-pyridin-2-ylbenzamide
CID 46334892
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide
CID 42818108
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
CID 46334908
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 30823116
4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125435112
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46334780

Frequently Asked Questions

What is the IUPAC name of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 92873032) is 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is NBCIEHBUIVJHTA-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-6-8-19(9-7-16)23-17(2)28-29(24(23)27-18(3)30)21-12-10-20(11-13-21)25(31)26-15-22-5-4-14-32-22/h6-13,22H,4-5,14-15H2,1-3H3,(H,26,31)(H,27,30)/t22-/m1/s1.
What are the key properties of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 92873032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).