1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea

C7H11FN4O — CID 130637088

IUPAC1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)NCCF
InChIInChI=1S/C7H11FN4O/c1-12-6(2-4-10-12)11-7(13)9-5-3-8/h2,4H,3,5H2,1H3,(H2,9,11,13)
InChIKeyZYDLMUWAVRRXCR-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.51
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea

1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea (PubChem CID 130637088) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
PubChem CID130637088
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC Name1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)NCCF
InChIInChI=1S/C7H11FN4O/c1-12-6(2-4-10-12)11-7(13)9-5-3-8/h2,4H,3,5H2,1H3,(H2,9,11,13)
InChIKeyZYDLMUWAVRRXCR-UHFFFAOYSA-N
XLogP0.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate
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1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea
CID 108813684
1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
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1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
CID 72935999
1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea
CID 99840154
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
2-methoxy-N-(2-methylpyrazol-3-yl)acetamide
CID 110470519
1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813825
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea (CID 130637088) is 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea is Cn1nccc1NC(=O)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is ZYDLMUWAVRRXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c1-12-6(2-4-10-12)11-7(13)9-5-3-8/h2,4H,3,5H2,1H3,(H2,9,11,13).
What are the key properties of 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea?
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 186.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 130637088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).