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

C17H14F2N4O — CID 162644767

IUPAC1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N4O/c1-23-16(10-15(22-23)11-5-3-2-4-6-11)21-17(24)20-14-8-12(18)7-13(19)9-14/h2-10H,1H3,(H2,20,21,24)
InChIKeyYJTUDSOMLOEOPJ-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.01
Rot. Bonds3

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

1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea (PubChem CID 162644767) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea
PubChem CID162644767
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N4O/c1-23-16(10-15(22-23)11-5-3-2-4-6-11)21-17(24)20-14-8-12(18)7-13(19)9-14/h2-10H,1H3,(H2,20,21,24)
InChIKeyYJTUDSOMLOEOPJ-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ML297
CID 56642816
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
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CID 10915062
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
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CID 684746
1-[4-(4-Bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-(2,4-difluorophenyl)urea
CID 2810116
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea (CID 162644767) is 1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea is Cn1nc(-c2ccccc2)cc1NC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The InChIKey is YJTUDSOMLOEOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-23-16(10-15(22-23)11-5-3-2-4-6-11)21-17(24)20-14-8-12(18)7-13(19)9-14/h2-10H,1H3,(H2,20,21,24).
What are the key properties of 1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea has a molecular weight of 328.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 162644767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).