1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea

C17H15F2N5O — CID 119102906

IUPAC1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea
SMILESCn1nc(-c2cccnc2)cc1CNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H15F2N5O/c1-24-12(8-15(23-24)11-4-3-7-20-9-11)10-21-17(25)22-16-13(18)5-2-6-14(16)19/h2-9H,10H2,1H3,(H2,21,22,25)
InChIKeyXWSWJNGGPGFSJQ-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.08
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea

1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea (PubChem CID 119102906) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea
PubChem CID119102906
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea
SMILESCn1nc(-c2cccnc2)cc1CNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H15F2N5O/c1-24-12(8-15(23-24)11-4-3-7-20-9-11)10-21-17(25)22-16-13(18)5-2-6-14(16)19/h2-9H,10H2,1H3,(H2,21,22,25)
InChIKeyXWSWJNGGPGFSJQ-UHFFFAOYSA-N
XLogP3.08
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(2-fluorophenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 119102901
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555212
4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
CID 121020097
3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 171130635
4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
CID 119102922
1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165562
(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958152
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
2-(2-fluorophenyl)-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143060
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea (CID 119102906) is 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea is Cn1nc(-c2cccnc2)cc1CNC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea?
The InChIKey is XWSWJNGGPGFSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-24-12(8-15(23-24)11-4-3-7-20-9-11)10-21-17(25)22-16-13(18)5-2-6-14(16)19/h2-9H,10H2,1H3,(H2,21,22,25).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea has a molecular weight of 343.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea is sourced from PubChem (CID 119102906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).