2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide

C30H33N5O2 — CID 3986707

IUPAC2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C30H33N5O2/c1-3-5-20-34(30(37)31-25-18-16-23(4-2)17-19-25)22-29(36)32-28-21-27(24-12-8-6-9-13-24)33-35(28)26-14-10-7-11-15-26/h6-19,21H,3-5,20,22H2,1-2H3,(H,31,37)(H,32,36)
InChIKeyJWEKIVCRBQPLCH-UHFFFAOYSA-N
MW495.63 g/mol
LogP6.37
Rot. Bonds10

About 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide

2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide (PubChem CID 3986707) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
PubChem CID3986707
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C30H33N5O2/c1-3-5-20-34(30(37)31-25-18-16-23(4-2)17-19-25)22-29(36)32-28-21-27(24-12-8-6-9-13-24)33-35(28)26-14-10-7-11-15-26/h6-19,21H,3-5,20,22H2,1-2H3,(H,31,37)(H,32,36)
InChIKeyJWEKIVCRBQPLCH-UHFFFAOYSA-N
XLogP6.37
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(phenylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42733849
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 42732225
2-[(4-chlorophenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4216356
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
CID 5107189
ethyl 4-[butyl-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 42732109
2-[(2-fluorophenyl)carbamoyl-pentylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3491735
2-[ethyl-[(3-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 1060992
N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
CID 3524528
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-3-methoxy-N-pentylbenzamide
CID 3643539
N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]-2-[butyl-[(4-ethylphenyl)carbamoyl]amino]acetamide
CID 5029193
2-[butyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3376227
2-[butyl-[(2-ethoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 42658179

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide (CID 3986707) is 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide is CCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The InChIKey is JWEKIVCRBQPLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-3-5-20-34(30(37)31-25-18-16-23(4-2)17-19-25)22-29(36)32-28-21-27(24-12-8-6-9-13-24)33-35(28)26-14-10-7-11-15-26/h6-19,21H,3-5,20,22H2,1-2H3,(H,31,37)(H,32,36).
What are the key properties of 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide has a molecular weight of 495.63 g/mol, XLogP of 6.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 3986707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).