1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea

C17H15ClN4O — CID 2813987

IUPAC1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H15ClN4O/c1-22-16(20-17(23)19-14-5-3-2-4-6-14)11-15(21-22)12-7-9-13(18)10-8-12/h2-11H,1H3,(H2,19,20,23)
InChIKeyIFTMWRBOCNIRFR-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.38
Rot. Bonds3

About 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea

1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea (PubChem CID 2813987) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea
PubChem CID2813987
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H15ClN4O/c1-22-16(20-17(23)19-14-5-3-2-4-6-14)11-15(21-22)12-7-9-13(18)10-8-12/h2-11H,1H3,(H2,19,20,23)
InChIKeyIFTMWRBOCNIRFR-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-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
Pyrazolourea, 1a
CID 25210518
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-[3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl]-N'-(3-chloro-2-methylphenyl)urea
CID 2811755
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
1-(5-Tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
CID 2822406
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
CID 2447447

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea?
The IUPAC name of 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea (CID 2813987) is 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea is Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea?
The InChIKey is IFTMWRBOCNIRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-22-16(20-17(23)19-14-5-3-2-4-6-14)11-15(21-22)12-7-9-13(18)10-8-12/h2-11H,1H3,(H2,19,20,23).
What are the key properties of 1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea?
1-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea 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-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-phenylurea is sourced from PubChem (CID 2813987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).