1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea

C11H13N5O — CID 108813626

IUPAC1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
SMILESCn1nccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C11H13N5O/c1-16-10(4-6-14-16)15-11(17)13-8-9-3-2-5-12-7-9/h2-7H,8H2,1H3,(H2,13,15,17)
InChIKeySMIQKGSBOZILAY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea

1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 108813626) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
PubChem CID108813626
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
SMILESCn1nccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C11H13N5O/c1-16-10(4-6-14-16)15-11(17)13-8-9-3-2-5-12-7-9/h2-7H,8H2,1H3,(H2,13,15,17)
InChIKeySMIQKGSBOZILAY-UHFFFAOYSA-N
XLogP1.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 75443227
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
CID 6468629
1-(pyridin-3-ylmethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 67081143
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea (CID 108813626) is 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea is Cn1nccc1NC(=O)NCc1cccnc1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is SMIQKGSBOZILAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-10(4-6-14-16)15-11(17)13-8-9-3-2-5-12-7-9/h2-7H,8H2,1H3,(H2,13,15,17).
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea?
1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 231.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 108813626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).