1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

C17H15ClN4O — CID 108812972

IUPAC1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCn1nc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccccc1
InChIInChI=1S/C17H15ClN4O/c1-22-15(12-6-3-2-4-7-12)11-16(21-22)20-17(23)19-14-9-5-8-13(18)10-14/h2-11H,1H3,(H2,19,20,21,23)
InChIKeyRDNMNABFYDQEPQ-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.38
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (PubChem CID 108812972) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
PubChem CID108812972
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCn1nc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccccc1
InChIInChI=1S/C17H15ClN4O/c1-22-15(12-6-3-2-4-7-12)11-16(21-22)20-17(23)19-14-9-5-8-13(18)10-14/h2-11H,1H3,(H2,19,20,21,23)
InChIKeyRDNMNABFYDQEPQ-UHFFFAOYSA-N
XLogP4.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813110
1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813156
4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
CID 108813124
1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813138
N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide
CID 164898192
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
1-(1-methyl-5-phenylpyrazol-3-yl)-3-(2-nitrophenyl)urea
CID 108812854
6-[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]hexanoic acid
CID 108812931
4-[(3-chlorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19447892
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108813013

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (CID 108812972) is 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is Cn1nc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The InChIKey is RDNMNABFYDQEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-22-15(12-6-3-2-4-7-12)11-16(21-22)20-17(23)19-14-9-5-8-13(18)10-14/h2-11H,1H3,(H2,19,20,21,23).
What are the key properties of 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea has a molecular weight of 326.79 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 108812972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).