1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea

C17H15F2N5O — CID 90555212

IUPAC1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
SMILESCn1nc(CNC(=O)Nc2c(F)cccc2F)cc1-c1ccncc1
InChIInChI=1S/C17H15F2N5O/c1-24-15(11-5-7-20-8-6-11)9-12(23-24)10-21-17(25)22-16-13(18)3-2-4-14(16)19/h2-9H,10H2,1H3,(H2,21,22,25)
InChIKeyUXYKFZQGJHVGQQ-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.08
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea

1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea (PubChem CID 90555212) 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-5-pyridin-4-ylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
PubChem CID90555212
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
SMILESCn1nc(CNC(=O)Nc2c(F)cccc2F)cc1-c1ccncc1
InChIInChI=1S/C17H15F2N5O/c1-24-15(11-5-7-20-8-6-11)9-12(23-24)10-21-17(25)22-16-13(18)3-2-4-14(16)19/h2-9H,10H2,1H3,(H2,21,22,25)
InChIKeyUXYKFZQGJHVGQQ-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

Analyze 1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]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-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554937
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide
CID 90555005
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 90555037
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554940
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea
CID 119102906
1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165562
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945
1-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
CID 71797491

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea (CID 90555212) is 1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea is Cn1nc(CNC(=O)Nc2c(F)cccc2F)cc1-c1ccncc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
The InChIKey is UXYKFZQGJHVGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-24-15(11-5-7-20-8-6-11)9-12(23-24)10-21-17(25)22-16-13(18)3-2-4-14(16)19/h2-9H,10H2,1H3,(H2,21,22,25).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-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-5-pyridin-4-ylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 90555212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).