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

C13H17N5O2 — CID 47198184

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ncccc1CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C13H17N5O2/c1-9-7-11(18(2)17-9)16-13(19)15-8-10-5-4-6-14-12(10)20-3/h4-7H,8H2,1-3H3,(H2,15,16,19)
InChIKeyQFQPGGYWWIBHED-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.45
Rot. Bonds4

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

1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea (PubChem CID 47198184) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
PubChem CID47198184
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ncccc1CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C13H17N5O2/c1-9-7-11(18(2)17-9)16-13(19)15-8-10-5-4-6-14-12(10)20-3/h4-7H,8H2,1-3H3,(H2,15,16,19)
InChIKeyQFQPGGYWWIBHED-UHFFFAOYSA-N
XLogP1.45
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.45
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-methoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea (CID 47198184) is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea is COc1ncccc1CNC(=O)Nc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The InChIKey is QFQPGGYWWIBHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-7-11(18(2)17-9)16-13(19)15-8-10-5-4-6-14-12(10)20-3/h4-7H,8H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 275.31 g/mol, XLogP of 1.45, 4 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-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 47198184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).