1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea

C17H14F2N4O — CID 56642816

IUPAC1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)
InChIKeyIEKSMUSSYJUQMY-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.10
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea

1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (PubChem CID 56642816) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
PubChem CID56642816
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)
InChIKeyIEKSMUSSYJUQMY-UHFFFAOYSA-N
XLogP4.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea
CID 71812408
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56844199
1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
CID 150914586
1-[(2-fluorophenyl)methyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 71084765
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
1-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 95133488
1-(1-benzothiophen-2-yl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 150015699
1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea
CID 70789119
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912
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
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (CID 56642816) is 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The InChIKey is IEKSMUSSYJUQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24).
What are the key properties of 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea has a molecular weight of 328.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 56642816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).