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

C16H13F2N5O — CID 71812408

IUPAC1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccncc2)n1
InChIInChI=1S/C16H13F2N5O/c1-10-8-15(23(22-10)12-4-6-19-7-5-12)21-16(24)20-11-2-3-13(17)14(18)9-11/h2-9H,1H3,(H2,20,21,24)
InChIKeyJKIMRYPNCLSUKU-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.50
Rot. Bonds3

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

1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea (PubChem CID 71812408) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea
PubChem CID71812408
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccncc2)n1
InChIInChI=1S/C16H13F2N5O/c1-10-8-15(23(22-10)12-4-6-19-7-5-12)21-16(24)20-11-2-3-13(17)14(18)9-11/h2-9H,1H3,(H2,20,21,24)
InChIKeyJKIMRYPNCLSUKU-UHFFFAOYSA-N
XLogP3.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816
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
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
CID 150914586
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
1-[(2-fluorophenyl)methyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 71084765
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 47107068
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-imidazol-1-ylbenzamide
CID 172890573
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea (CID 71812408) is 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccncc2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea?
The InChIKey is JKIMRYPNCLSUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c1-10-8-15(23(22-10)12-4-6-19-7-5-12)21-16(24)20-11-2-3-13(17)14(18)9-11/h2-9H,1H3,(H2,20,21,24).
What are the key properties of 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea?
1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea has a molecular weight of 329.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea is sourced from PubChem (CID 71812408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).