4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide

C23H25ClN4O2 — CID 46541622

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NCc3cccc(NC(=O)C(C)C)c3)cc2)c(C)c1Cl
InChIInChI=1S/C23H25ClN4O2/c1-14(2)22(29)26-19-7-5-6-17(12-19)13-25-23(30)18-8-10-20(11-9-18)28-16(4)21(24)15(3)27-28/h5-12,14H,13H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyNBXMZBRFTWGUDZ-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.67
Rot. Bonds6

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide (PubChem CID 46541622) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
PubChem CID46541622
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NCc3cccc(NC(=O)C(C)C)c3)cc2)c(C)c1Cl
InChIInChI=1S/C23H25ClN4O2/c1-14(2)22(29)26-19-7-5-6-17(12-19)13-25-23(30)18-8-10-20(11-9-18)28-16(4)21(24)15(3)27-28/h5-12,14H,13H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyNBXMZBRFTWGUDZ-UHFFFAOYSA-N
XLogP4.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26905200
1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 34595492
2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
CID 46541611
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide
CID 26179891
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186
4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 33024025
3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55749646
4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 119716862
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 33022275
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide (CID 46541622) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide is Cc1nn(-c2ccc(C(=O)NCc3cccc(NC(=O)C(C)C)c3)cc2)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The InChIKey is NBXMZBRFTWGUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-14(2)22(29)26-19-7-5-6-17(12-19)13-25-23(30)18-8-10-20(11-9-18)28-16(4)21(24)15(3)27-28/h5-12,14H,13H2,1-4H3,(H,25,30)(H,26,29).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide has a molecular weight of 424.93 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 46541622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).