1-methyl-3-(2-pyrazol-1-ylethyl)urea

C7H12N4O — CID 23548396

IUPAC1-methyl-3-(2-pyrazol-1-ylethyl)urea
SMILESCNC(=O)NCCn1cccn1
InChIInChI=1S/C7H12N4O/c1-8-7(12)9-4-6-11-5-2-3-10-11/h2-3,5H,4,6H2,1H3,(H2,8,9,12)
InChIKeyHTCHCXLMBYRADX-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.19
Rot. Bonds3

About 1-methyl-3-(2-pyrazol-1-ylethyl)urea

1-methyl-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 23548396) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-methyl-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-pyrazol-1-ylethyl)urea
PubChem CID23548396
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-methyl-3-(2-pyrazol-1-ylethyl)urea
SMILESCNC(=O)NCCn1cccn1
InChIInChI=1S/C7H12N4O/c1-8-7(12)9-4-6-11-5-2-3-10-11/h2-3,5H,4,6H2,1H3,(H2,8,9,12)
InChIKeyHTCHCXLMBYRADX-UHFFFAOYSA-N
XLogP-0.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
CID 61461806
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 66176150
2,3-dimethyl-4-oxo-4-(2-pyrazol-1-ylethylcarbamoylamino)but-2-enoic acid
CID 76992391
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
CID 54951704
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
CID 61461497
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
1-(4-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99623557

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-methyl-3-(2-pyrazol-1-ylethyl)urea (CID 23548396) is 1-methyl-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-methyl-3-(2-pyrazol-1-ylethyl)urea is CNC(=O)NCCn1cccn1.
What is the InChIKey of 1-methyl-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is HTCHCXLMBYRADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-8-7(12)9-4-6-11-5-2-3-10-11/h2-3,5H,4,6H2,1H3,(H2,8,9,12).
What are the key properties of 1-methyl-3-(2-pyrazol-1-ylethyl)urea?
1-methyl-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 168.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 23548396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).