N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide

C25H31N5O2 — CID 42735899

IUPACN-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide
SMILESCc1cccc(NC(=O)N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c1
InChIInChI=1S/C25H31N5O2/c1-17-10-9-12-19(14-17)26-24(32)29(6)16-23(31)27-22-15-21(25(3,4)5)28-30(22)20-13-8-7-11-18(20)2/h7-15H,16H2,1-6H3,(H,26,32)(H,27,31)
InChIKeyISLILGSGCUIUSM-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.89
Rot. Bonds5

About N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide

N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide (PubChem CID 42735899) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide
PubChem CID42735899
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide
SMILESCc1cccc(NC(=O)N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c1
InChIInChI=1S/C25H31N5O2/c1-17-10-9-12-19(14-17)26-24(32)29(6)16-23(31)27-22-15-21(25(3,4)5)28-30(22)20-13-8-7-11-18(20)2/h7-15H,16H2,1-6H3,(H,26,32)(H,27,31)
InChIKeyISLILGSGCUIUSM-UHFFFAOYSA-N
XLogP4.89
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 42735900
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 42735904
2-[(3-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide
CID 1062328
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(3-methylphenyl)carbamoyl-propylamino]acetamide
CID 1056726
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methyl-4-phenylbenzamide
CID 42735487
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 4650661
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(3-chlorophenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 42735964
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(4-ethylphenyl)carbamoyl-propylamino]acetamide
CID 3575002
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl(phenylcarbamoyl)amino]acetamide
CID 5218246
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide
CID 1056603
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 42735497
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 42733389

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide (CID 42735899) is N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide is Cc1cccc(NC(=O)N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c1.
What is the InChIKey of N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide?
The InChIKey is ISLILGSGCUIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-10-9-12-19(14-17)26-24(32)29(6)16-23(31)27-22-15-21(25(3,4)5)28-30(22)20-13-8-7-11-18(20)2/h7-15H,16H2,1-6H3,(H,26,32)(H,27,31).
What are the key properties of N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide?
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide has a molecular weight of 433.56 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetamide is sourced from PubChem (CID 42735899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).