2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide

C17H14ClN5O3 — CID 55919142

IUPAC2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide
SMILESO=C(CNc1cc(Cl)ccc1-n1cccn1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14ClN5O3/c18-12-2-7-16(22-9-1-8-20-22)15(10-12)19-11-17(24)21-13-3-5-14(6-4-13)23(25)26/h1-10,19H,11H2,(H,21,24)
InChIKeyLCZUERWAKMAZQD-UHFFFAOYSA-N
MW371.78 g/mol
LogP3.48
Rot. Bonds6

About 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide

2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide (PubChem CID 55919142) has the molecular formula C17H14ClN5O3 and a molecular weight of 371.78 g/mol. Its IUPAC name is 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide
PubChem CID55919142
Molecular FormulaC17H14ClN5O3
Molecular Weight371.78 g/mol
Exact Mass371.08
IUPAC Name2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide
SMILESO=C(CNc1cc(Cl)ccc1-n1cccn1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14ClN5O3/c18-12-2-7-16(22-9-1-8-20-22)15(10-12)19-11-17(24)21-13-3-5-14(6-4-13)23(25)26/h1-10,19H,11H2,(H,21,24)
InChIKeyLCZUERWAKMAZQD-UHFFFAOYSA-N
XLogP3.48
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
N-(2-acetylphenyl)-2-(5-chloro-2-pyrazol-1-ylanilino)acetamide
CID 55919271
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-nitro-1H-indazole-3-carboxamide
CID 55993552
N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55728999
2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55918502
2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55897440
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide (CID 55919142) is 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide is O=C(CNc1cc(Cl)ccc1-n1cccn1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide?
The InChIKey is LCZUERWAKMAZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O3/c18-12-2-7-16(22-9-1-8-20-22)15(10-12)19-11-17(24)21-13-3-5-14(6-4-13)23(25)26/h1-10,19H,11H2,(H,21,24).
What are the key properties of 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide?
2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide has a molecular weight of 371.78 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyrazol-1-ylanilino)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 55919142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).