1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea

C6H9FN4O — CID 131084031

IUPAC1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCCF)Nc1cn[nH]c1
InChIInChI=1S/C6H9FN4O/c7-1-2-8-6(12)11-5-3-9-10-4-5/h3-4H,1-2H2,(H,9,10)(H2,8,11,12)
InChIKeyGRZHPMUECAZSQQ-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.50
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea

1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea (PubChem CID 131084031) has the molecular formula C6H9FN4O and a molecular weight of 172.16 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea
PubChem CID131084031
Molecular FormulaC6H9FN4O
Molecular Weight172.16 g/mol
Exact Mass172.08
IUPAC Name1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NCCF)Nc1cn[nH]c1
InChIInChI=1S/C6H9FN4O/c7-1-2-8-6(12)11-5-3-9-10-4-5/h3-4H,1-2H2,(H,9,10)(H2,8,11,12)
InChIKeyGRZHPMUECAZSQQ-UHFFFAOYSA-N
XLogP0.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea (CID 131084031) is 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea is O=C(NCCF)Nc1cn[nH]c1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea?
The InChIKey is GRZHPMUECAZSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O/c7-1-2-8-6(12)11-5-3-9-10-4-5/h3-4H,1-2H2,(H,9,10)(H2,8,11,12).
What are the key properties of 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea?
1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea has a molecular weight of 172.16 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 131084031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).