2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide

C30H33N5O4 — CID 3964608

IUPAC2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
SMILESCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccccc1C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C30H33N5O4/c1-6-34(30(37)31-24-17-16-23(38-4)18-26(24)39-5)19-27(36)32-29-28(22-13-8-7-9-14-22)21(3)33-35(29)25-15-11-10-12-20(25)2/h7-18H,6,19H2,1-5H3,(H,31,37)(H,32,36)
InChIKeyNSIMNBSEJIGTHD-UHFFFAOYSA-N
MW527.63 g/mol
LogP5.67
Rot. Bonds9

About 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide

2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide (PubChem CID 3964608) has the molecular formula C30H33N5O4 and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
PubChem CID3964608
Molecular FormulaC30H33N5O4
Molecular Weight527.63 g/mol
Exact Mass527.25
IUPAC Name2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
SMILESCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccccc1C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C30H33N5O4/c1-6-34(30(37)31-24-17-16-23(38-4)18-26(24)39-5)19-27(36)32-29-28(22-13-8-7-9-14-22)21(3)33-35(29)25-15-11-10-12-20(25)2/h7-18H,6,19H2,1-5H3,(H,31,37)(H,32,36)
InChIKeyNSIMNBSEJIGTHD-UHFFFAOYSA-N
XLogP5.67
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 5141767
2-[(4-chlorophenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 4994459
2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 4012735
2-[(3-cyanophenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 42736028
2-methoxy-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42736732
N,4-diethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 4690976
2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3281222
2-[(4-methoxyphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 3898476
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-pentylamino]acetamide
CID 42735960
N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745726
2-[(2-bromophenyl)carbamoyl-butylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 3925296
N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylhexanamide
CID 42736766

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide (CID 3964608) is 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide is CCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccccc1C)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide?
The InChIKey is NSIMNBSEJIGTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4/c1-6-34(30(37)31-24-17-16-23(38-4)18-26(24)39-5)19-27(36)32-29-28(22-13-8-7-9-14-22)21(3)33-35(29)25-15-11-10-12-20(25)2/h7-18H,6,19H2,1-5H3,(H,31,37)(H,32,36).
What are the key properties of 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide?
2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide has a molecular weight of 527.63 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)carbamoyl-ethylamino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 3964608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).