1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea

C10H8ClN5O3 — CID 60577073

IUPAC1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H8ClN5O3/c11-8-2-1-6(3-9(8)16(18)19)14-10(17)15-7-4-12-13-5-7/h1-5H,(H,12,13)(H2,14,15,17)
InChIKeyPDUGBIORSWMOEH-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.62
Rot. Bonds3

About 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea

1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea (PubChem CID 60577073) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea
PubChem CID60577073
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC Name1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H8ClN5O3/c11-8-2-1-6(3-9(8)16(18)19)14-10(17)15-7-4-12-13-5-7/h1-5H,(H,12,13)(H2,14,15,17)
InChIKeyPDUGBIORSWMOEH-UHFFFAOYSA-N
XLogP2.62
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 43540234
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
1-(4-chloro-3-nitrophenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885513
1-(4-chloro-3-nitrophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875215
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea
CID 108866532
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
CID 61040906
N-(4-chloro-3-nitrophenyl)but-2-enamide
CID 78909412
5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 62168858
1-(4-chloro-3-nitrophenyl)-3-piperidin-1-ylurea
CID 2779586
N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107812143

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea (CID 60577073) is 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea is O=C(Nc1cn[nH]c1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea?
The InChIKey is PDUGBIORSWMOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c11-8-2-1-6(3-9(8)16(18)19)14-10(17)15-7-4-12-13-5-7/h1-5H,(H,12,13)(H2,14,15,17).
What are the key properties of 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea?
1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea has a molecular weight of 281.66 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 60577073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).