1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea

C10H9ClN4O — CID 47388450

IUPAC1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea
SMILESO=C(Nc1ccn[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C10H9ClN4O/c11-7-3-1-2-4-8(7)13-10(16)14-9-5-6-12-15-9/h1-6H,(H3,12,13,14,15,16)
InChIKeyCIBFZZXIPWDKGZ-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.71
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea

1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea (PubChem CID 47388450) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea
PubChem CID47388450
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea
SMILESO=C(Nc1ccn[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C10H9ClN4O/c11-7-3-1-2-4-8(7)13-10(16)14-9-5-6-12-15-9/h1-6H,(H3,12,13,14,15,16)
InChIKeyCIBFZZXIPWDKGZ-UHFFFAOYSA-N
XLogP2.71
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
CID 61394391
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 804912
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 119049281
1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 22439180

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea (CID 47388450) is 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea is O=C(Nc1ccn[nH]1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea?
The InChIKey is CIBFZZXIPWDKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-7-3-1-2-4-8(7)13-10(16)14-9-5-6-12-15-9/h1-6H,(H3,12,13,14,15,16).
What are the key properties of 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea?
1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea has a molecular weight of 236.66 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea is sourced from PubChem (CID 47388450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).