1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea

C12H15N5O — CID 47198294

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea
SMILESCc1cc(NC(=O)NCc2ccccn2)n(C)n1
InChIInChI=1S/C12H15N5O/c1-9-7-11(17(2)16-9)15-12(18)14-8-10-5-3-4-6-13-10/h3-7H,8H2,1-2H3,(H2,14,15,18)
InChIKeyUSZSYGZGDMGHGH-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.45
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea

1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 47198294) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea
PubChem CID47198294
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea
SMILESCc1cc(NC(=O)NCc2ccccn2)n(C)n1
InChIInChI=1S/C12H15N5O/c1-9-7-11(17(2)16-9)15-12(18)14-8-10-5-3-4-6-13-10/h3-7H,8H2,1-2H3,(H2,14,15,18)
InChIKeyUSZSYGZGDMGHGH-UHFFFAOYSA-N
XLogP1.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea (CID 47198294) is 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea is Cc1cc(NC(=O)NCc2ccccn2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is USZSYGZGDMGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-7-11(17(2)16-9)15-12(18)14-8-10-5-3-4-6-13-10/h3-7H,8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 245.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 47198294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).