1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea

C12H14BrN5O — CID 99623557

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
SMILESCc1nc(NC(=O)NCCn2cccn2)ccc1Br
InChIInChI=1S/C12H14BrN5O/c1-9-10(13)3-4-11(16-9)17-12(19)14-6-8-18-7-2-5-15-18/h2-5,7H,6,8H2,1H3,(H2,14,16,17,19)
InChIKeyQWHDMIOXSQMZDW-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.17
Rot. Bonds4

About 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea

1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 99623557) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
PubChem CID99623557
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
SMILESCc1nc(NC(=O)NCCn2cccn2)ccc1Br
InChIInChI=1S/C12H14BrN5O/c1-9-10(13)3-4-11(16-9)17-12(19)14-6-8-18-7-2-5-15-18/h2-5,7H,6,8H2,1H3,(H2,14,16,17,19)
InChIKeyQWHDMIOXSQMZDW-UHFFFAOYSA-N
XLogP2.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99599215
3-methyl-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461235
5-bromo-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 62073502
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
CID 19589685
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089989
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
CID 61461497
1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75438221
1-(4-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507984

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea (CID 99623557) is 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea is Cc1nc(NC(=O)NCCn2cccn2)ccc1Br.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is QWHDMIOXSQMZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-9-10(13)3-4-11(16-9)17-12(19)14-6-8-18-7-2-5-15-18/h2-5,7H,6,8H2,1H3,(H2,14,16,17,19).
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea?
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 324.18 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 99623557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).