N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide

C30H29F3N4O2 — CID 3949334

IUPACN-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C)cc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H29F3N4O2/c1-4-17-36(29(39)23-11-8-12-24(18-23)30(31,32)33)19-26(38)34-28-27(22-9-6-5-7-10-22)21(3)35-37(28)25-15-13-20(2)14-16-25/h5-16,18H,4,17,19H2,1-3H3,(H,34,38)
InChIKeyYZNJHRNFAXYLAU-UHFFFAOYSA-N
MW534.58 g/mol
LogP6.67
Rot. Bonds8

About N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide

N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide (PubChem CID 3949334) has the molecular formula C30H29F3N4O2 and a molecular weight of 534.58 g/mol. Its IUPAC name is N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
PubChem CID3949334
Molecular FormulaC30H29F3N4O2
Molecular Weight534.58 g/mol
Exact Mass534.22
IUPAC NameN-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C)cc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H29F3N4O2/c1-4-17-36(29(39)23-11-8-12-24(18-23)30(31,32)33)19-26(38)34-28-27(22-9-6-5-7-10-22)21(3)35-37(28)25-15-13-20(2)14-16-25/h5-16,18H,4,17,19H2,1-3H3,(H,34,38)
InChIKeyYZNJHRNFAXYLAU-UHFFFAOYSA-N
XLogP6.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.58
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-tert-butyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 4669797
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 4001661
4-bromo-N-butyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 3624607
4-tert-butyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3925295
4-methyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4656985
2-[(4-methoxyphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 3898476
2-[butyl-[(3-chloro-4-fluorophenyl)carbamoyl]amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 4012640
2-[butyl-[(2,4-dichlorophenyl)carbamoyl]amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3948461
2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 4648243
2-[butyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 5114757
2-[(3-ethylphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 4241295
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 3374831

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide (CID 3949334) is N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide is CCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C)cc1)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide?
The InChIKey is YZNJHRNFAXYLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N4O2/c1-4-17-36(29(39)23-11-8-12-24(18-23)30(31,32)33)19-26(38)34-28-27(22-9-6-5-7-10-22)21(3)35-37(28)25-15-13-20(2)14-16-25/h5-16,18H,4,17,19H2,1-3H3,(H,34,38).
What are the key properties of N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide?
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 534.58 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3949334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).