N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide

C27H26ClN5O3 — CID 1062155

IUPACN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C27H26ClN5O3/c1-3-32(27(35)29-22-11-7-8-12-24(22)36-2)18-26(34)30-25-17-23(19-9-5-4-6-10-19)31-33(25)21-15-13-20(28)14-16-21/h4-17H,3,18H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyHRYSKRNCNSBKBY-UHFFFAOYSA-N
MW503.99 g/mol
LogP5.69
Rot. Bonds8

About N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide

N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide (PubChem CID 1062155) has the molecular formula C27H26ClN5O3 and a molecular weight of 503.99 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
PubChem CID1062155
Molecular FormulaC27H26ClN5O3
Molecular Weight503.99 g/mol
Exact Mass503.17
IUPAC NameN-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C27H26ClN5O3/c1-3-32(27(35)29-22-11-7-8-12-24(22)36-2)18-26(34)30-25-17-23(19-9-5-4-6-10-19)31-33(25)21-15-13-20(28)14-16-21/h4-17H,3,18H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyHRYSKRNCNSBKBY-UHFFFAOYSA-N
XLogP5.69
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.99
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-ethylamino]acetamide
CID 4543648
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(3,5-dimethoxyphenyl)carbamoyl-propylamino]acetamide
CID 3334768
2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3491737
2-[(2-bromophenyl)carbamoyl-ethylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 1060987
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
CID 4587555
2-[butyl-[(2-ethoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 42658179
2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3313857
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3686030
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 1052783
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide
CID 42732017
2-[(4-chlorophenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4216356
N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide
CID 3994195

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide (CID 1062155) is N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1OC.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide?
The InChIKey is HRYSKRNCNSBKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O3/c1-3-32(27(35)29-22-11-7-8-12-24(22)36-2)18-26(34)30-25-17-23(19-9-5-4-6-10-19)31-33(25)21-15-13-20(28)14-16-21/h4-17H,3,18H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide?
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide has a molecular weight of 503.99 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide is sourced from PubChem (CID 1062155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).