1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea

C14H19N5O2 — CID 51080213

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
SMILESCCOc1ncccc1CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C14H19N5O2/c1-4-21-13-11(6-5-7-15-13)9-16-14(20)17-12-8-10(2)18-19(12)3/h5-8H,4,9H2,1-3H3,(H2,16,17,20)
InChIKeyGJBSTAYDRQARPO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.84
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea (PubChem CID 51080213) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
PubChem CID51080213
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
SMILESCCOc1ncccc1CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C14H19N5O2/c1-4-21-13-11(6-5-7-15-13)9-16-14(20)17-12-8-10(2)18-19(12)3/h5-8H,4,9H2,1-3H3,(H2,16,17,20)
InChIKeyGJBSTAYDRQARPO-UHFFFAOYSA-N
XLogP1.84
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea (CID 51080213) is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea is CCOc1ncccc1CNC(=O)Nc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea?
The InChIKey is GJBSTAYDRQARPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-21-13-11(6-5-7-15-13)9-16-14(20)17-12-8-10(2)18-19(12)3/h5-8H,4,9H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea has a molecular weight of 289.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 51080213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).