1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea

C12H13ClN4O — CID 47363703

IUPAC1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C12H13ClN4O/c1-8-6-11(17(2)16-8)15-12(18)14-10-5-3-4-9(13)7-10/h3-7H,1-2H3,(H2,14,15,18)
InChIKeySUTUWBBBFFGUFV-UHFFFAOYSA-N
MW264.72 g/mol
LogP3.03
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea

1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 47363703) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID47363703
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C12H13ClN4O/c1-8-6-11(17(2)16-8)15-12(18)14-10-5-3-4-9(13)7-10/h3-7H,1-2H3,(H2,14,15,18)
InChIKeySUTUWBBBFFGUFV-UHFFFAOYSA-N
XLogP3.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 43133017
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972
CID 168763640
CID 168763640
4-[(3-chlorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19447892
1-(3-chlorophenyl)-3-[5-methyl-2-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)pyrazol-3-yl]urea
CID 74925015
1-(3-chlorophenyl)-3-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]urea
CID 108781258
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 71886636
1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339833
1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
CID 46412300
1-(3-chlorophenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 19590515

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea (CID 47363703) is 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2cccc(Cl)c2)n(C)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is SUTUWBBBFFGUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-6-11(17(2)16-8)15-12(18)14-10-5-3-4-9(13)7-10/h3-7H,1-2H3,(H2,14,15,18).
What are the key properties of 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea has a molecular weight of 264.72 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 47363703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).