1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea

C18H16F2N4O2 — CID 167897122

IUPAC1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(OC(F)F)c2)nn1-c1ccccc1
InChIInChI=1S/C18H16F2N4O2/c1-12-10-16(23-24(12)14-7-3-2-4-8-14)22-18(25)21-13-6-5-9-15(11-13)26-17(19)20/h2-11,17H,1H3,(H2,21,22,23,25)
InChIKeyVMKJRKHXLPENMV-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.43
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea

1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea (PubChem CID 167897122) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea
PubChem CID167897122
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(OC(F)F)c2)nn1-c1ccccc1
InChIInChI=1S/C18H16F2N4O2/c1-12-10-16(23-24(12)14-7-3-2-4-8-14)22-18(25)21-13-6-5-9-15(11-13)26-17(19)20/h2-11,17H,1H3,(H2,21,22,23,25)
InChIKeyVMKJRKHXLPENMV-UHFFFAOYSA-N
XLogP4.43
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea
CID 154794214
1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 122285767
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
1-[3-(difluoromethoxy)phenyl]-3-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 122324189
1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55831507
1-[3-(difluoromethoxy)phenyl]-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356536
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
N-[3-(difluoromethoxy)phenyl]-2-phenyl-2-pyrrol-1-ylacetamide
CID 56764445
3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide
CID 99625046
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 26703269
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 147730305

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea (CID 167897122) is 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2cccc(OC(F)F)c2)nn1-c1ccccc1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea?
The InChIKey is VMKJRKHXLPENMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-12-10-16(23-24(12)14-7-3-2-4-8-14)22-18(25)21-13-6-5-9-15(11-13)26-17(19)20/h2-11,17H,1H3,(H2,21,22,23,25).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea?
1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea has a molecular weight of 358.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 167897122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).