1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea

C12H13F2N5O2 — CID 86793556

IUPAC1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)Nc2cccc(OCC(F)F)n2)cn1
InChIInChI=1S/C12H13F2N5O2/c1-19-6-8(5-15-19)16-12(20)18-10-3-2-4-11(17-10)21-7-9(13)14/h2-6,9H,7H2,1H3,(H2,16,17,18,20)
InChIKeyVYPUTUITACJSLM-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.10
Rot. Bonds5

About 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea

1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea (PubChem CID 86793556) has the molecular formula C12H13F2N5O2 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea
PubChem CID86793556
Molecular FormulaC12H13F2N5O2
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)Nc2cccc(OCC(F)F)n2)cn1
InChIInChI=1S/C12H13F2N5O2/c1-19-6-8(5-15-19)16-12(20)18-10-3-2-4-11(17-10)21-7-9(13)14/h2-6,9H,7H2,1H3,(H2,16,17,18,20)
InChIKeyVYPUTUITACJSLM-UHFFFAOYSA-N
XLogP2.10
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 45825557
1-(6-Methoxy-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47220635
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 51080213
1-(3,5-Dimethyl-1-propan-2-ylpyrazol-4-yl)-3-(2-ethoxy-3-pyridinyl)urea
CID 53513710
2-{[6-(1H-pyrazol-1-yl)pyridazin-3-yl]oxy}-N-(pyridin-3-yl)acetamide
CID 71799693
N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide
CID 134962103
methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 135031327
1-(1-Pyrazol-1-ylpropan-2-yl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]urea
CID 45827290
N-[6-(2-methylpropoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 72011699
N-(6-ethoxy-2-pyridinyl)-1-ethylpyrazole-4-carboxamide
CID 72110853
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea
CID 75508141
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 82873645

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea (CID 86793556) is 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea is Cn1cc(NC(=O)Nc2cccc(OCC(F)F)n2)cn1.
What is the InChIKey of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is VYPUTUITACJSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O2/c1-19-6-8(5-15-19)16-12(20)18-10-3-2-4-11(17-10)21-7-9(13)14/h2-6,9H,7H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea?
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 297.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 86793556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).