1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea

C11H11ClN4O — CID 2808768

IUPAC1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c1-16-10(6-7-13-16)15-11(17)14-9-4-2-8(12)3-5-9/h2-7H,1H3,(H2,14,15,17)
InChIKeyHWUMTZXDNKJWRS-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.72
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea

1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea (PubChem CID 2808768) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea
PubChem CID2808768
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c1-16-10(6-7-13-16)15-11(17)14-9-4-2-8(12)3-5-9/h2-7H,1H3,(H2,14,15,17)
InChIKeyHWUMTZXDNKJWRS-UHFFFAOYSA-N
XLogP2.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
1-(5-Tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
CID 2822406
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
CID 2447447
1-(3-Bromophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808860
N-(1-methyl-1H-pyrazol-5-yl)-N'-(3-nitrophenyl)urea
CID 2808865
N-(1-tert-butyl-3-cyclopropyl-1H-pyrazol-5-yl)-N'-(4-chlorophenyl)urea
CID 339572
N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(4-chlorophenyl)-2-(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)-2-methyl-1-hydrazinecarboxamide
CID 1478272

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea (CID 2808768) is 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea is Cn1nccc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is HWUMTZXDNKJWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-10(6-7-13-16)15-11(17)14-9-4-2-8(12)3-5-9/h2-7H,1H3,(H2,14,15,17).
What are the key properties of 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea?
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 250.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 2808768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).