2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide

C31H35N5O2 — CID 5176068

IUPAC2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C31H35N5O2/c1-6-17-35(31(38)32-26-14-10-11-22(3)24(26)5)20-30(37)33-29-19-27(25-12-8-7-9-13-25)34-36(29)28-16-15-21(2)18-23(28)4/h7-16,18-19H,6,17,20H2,1-5H3,(H,32,38)(H,33,37)
InChIKeyVNPVTIXZXSBPDJ-UHFFFAOYSA-N
MW509.65 g/mol
LogP6.66
Rot. Bonds8

About 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide

2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide (PubChem CID 5176068) has the molecular formula C31H35N5O2 and a molecular weight of 509.65 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
PubChem CID5176068
Molecular FormulaC31H35N5O2
Molecular Weight509.65 g/mol
Exact Mass509.28
IUPAC Name2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C31H35N5O2/c1-6-17-35(31(38)32-26-14-10-11-22(3)24(26)5)20-30(37)33-29-19-27(25-12-8-7-9-13-25)34-36(29)28-16-15-21(2)18-23(28)4/h7-16,18-19H,6,17,20H2,1-5H3,(H,32,38)(H,33,37)
InChIKeyVNPVTIXZXSBPDJ-UHFFFAOYSA-N
XLogP6.66
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4303891
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbutanamide
CID 42733696
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5040656
2-[(3-chloro-4-fluorophenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3965940
2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3682849
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methylphenyl)carbamoyl]amino]acetamide
CID 3642057
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
CID 4587555
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3686030
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide
CID 1062073
N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
CID 3524528
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 42740904
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2,3-dimethylphenyl)carbamoyl-ethylamino]acetamide
CID 42736016

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide (CID 5176068) is 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is VNPVTIXZXSBPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2/c1-6-17-35(31(38)32-26-14-10-11-22(3)24(26)5)20-30(37)33-29-19-27(25-12-8-7-9-13-25)34-36(29)28-16-15-21(2)18-23(28)4/h7-16,18-19H,6,17,20H2,1-5H3,(H,32,38)(H,33,37).
What are the key properties of 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide?
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 509.65 g/mol, XLogP of 6.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 5176068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).