2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide

C30H33N5O3 — CID 4225378

IUPAC2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(CC(C)C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C30H33N5O3/c1-22(2)20-34(30(37)31-19-23-10-6-4-7-11-23)21-29(36)32-28-18-27(24-12-8-5-9-13-24)33-35(28)25-14-16-26(38-3)17-15-25/h4-18,22H,19-21H2,1-3H3,(H,31,37)(H,32,36)
InChIKeyZSOWRFJJFZQFEA-UHFFFAOYSA-N
MW511.63 g/mol
LogP5.35
Rot. Bonds10

About 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide

2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide (PubChem CID 4225378) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
PubChem CID4225378
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC Name2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(CC(C)C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C30H33N5O3/c1-22(2)20-34(30(37)31-19-23-10-6-4-7-11-23)21-29(36)32-28-18-27(24-12-8-5-9-13-24)33-35(28)25-14-16-26(38-3)17-15-25/h4-18,22H,19-21H2,1-3H3,(H,31,37)(H,32,36)
InChIKeyZSOWRFJJFZQFEA-UHFFFAOYSA-N
XLogP5.35
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzylcarbamoyl(ethyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 42658160
3-methoxy-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42731959
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 1062358
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42731978
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
CID 42732655
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 5033485
ethyl 2-[[[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
CID 42732608
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42741282
N-ethyl-2-fluoro-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42731982

Frequently Asked Questions

What is the IUPAC name of 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide (CID 4225378) is 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide is COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(CC(C)C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is ZSOWRFJJFZQFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c1-22(2)20-34(30(37)31-19-23-10-6-4-7-11-23)21-29(36)32-28-18-27(24-12-8-5-9-13-24)33-35(28)25-14-16-26(38-3)17-15-25/h4-18,22H,19-21H2,1-3H3,(H,31,37)(H,32,36).
What are the key properties of 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide?
2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 511.63 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 4225378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).