[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone

C10H15FN4O — CID 154882392

IUPAC[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccn(CCF)n1)N1CCNCC1
InChIInChI=1S/C10H15FN4O/c11-2-6-15-5-1-9(13-15)10(16)14-7-3-12-4-8-14/h1,5,12H,2-4,6-8H2
InChIKeyYRAHUBJWOQIKPM-UHFFFAOYSA-N
MW226.25 g/mol
LogP-0.10
Rot. Bonds3

About [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone

[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone (PubChem CID 154882392) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone
PubChem CID154882392
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccn(CCF)n1)N1CCNCC1
InChIInChI=1S/C10H15FN4O/c11-2-6-15-5-1-9(13-15)10(16)14-7-3-12-4-8-14/h1,5,12H,2-4,6-8H2
InChIKeyYRAHUBJWOQIKPM-UHFFFAOYSA-N
XLogP-0.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone (CID 154882392) is [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone is O=C(c1ccn(CCF)n1)N1CCNCC1.
What is the InChIKey of [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
The InChIKey is YRAHUBJWOQIKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c11-2-6-15-5-1-9(13-15)10(16)14-7-3-12-4-8-14/h1,5,12H,2-4,6-8H2.
What are the key properties of [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone?
[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone has a molecular weight of 226.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 154882392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).