1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea

C15H19ClN4O — CID 2818792

IUPAC1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)cc2)n(C(C)(C)C)n1
InChIInChI=1S/C15H19ClN4O/c1-10-9-13(20(19-10)15(2,3)4)18-14(21)17-12-7-5-11(16)6-8-12/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyFUQZBAHGAZTFFD-UHFFFAOYSA-N
MW306.80 g/mol
LogP4.24
Rot. Bonds2

About 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea

1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea (PubChem CID 2818792) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea
PubChem CID2818792
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)cc2)n(C(C)(C)C)n1
InChIInChI=1S/C15H19ClN4O/c1-10-9-13(20(19-10)15(2,3)4)18-14(21)17-12-7-5-11(16)6-8-12/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyFUQZBAHGAZTFFD-UHFFFAOYSA-N
XLogP4.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 54.24
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
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea
CID 5327064
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-(3,4-dichlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815052
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea (CID 2818792) is 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea is Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(C(C)(C)C)n1.
What is the InChIKey of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea?
The InChIKey is FUQZBAHGAZTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-9-13(20(19-10)15(2,3)4)18-14(21)17-12-7-5-11(16)6-8-12/h5-9H,1-4H3,(H2,17,18,21).
What are the key properties of 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea?
1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea has a molecular weight of 306.80 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 2818792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).