2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine

C7H11ClFN3 — CID 114667639

IUPAC2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine
SMILESCCn1ncc(Cl)c1C(F)CN
InChIInChI=1S/C7H11ClFN3/c1-2-12-7(6(9)3-10)5(8)4-11-12/h4,6H,2-3,10H2,1H3
InChIKeyXWYNHYZWEKCJRI-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.53
Rot. Bonds3

About 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine

2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine (PubChem CID 114667639) has the molecular formula C7H11ClFN3 and a molecular weight of 191.64 g/mol. Its IUPAC name is 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine
PubChem CID114667639
Molecular FormulaC7H11ClFN3
Molecular Weight191.64 g/mol
Exact Mass191.06
IUPAC Name2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine
SMILESCCn1ncc(Cl)c1C(F)CN
InChIInChI=1S/C7H11ClFN3/c1-2-12-7(6(9)3-10)5(8)4-11-12/h4,6H,2-3,10H2,1H3
InChIKeyXWYNHYZWEKCJRI-UHFFFAOYSA-N
XLogP1.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine?
The IUPAC name of 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine (CID 114667639) is 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine is CCn1ncc(Cl)c1C(F)CN.
What is the InChIKey of 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine?
The InChIKey is XWYNHYZWEKCJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFN3/c1-2-12-7(6(9)3-10)5(8)4-11-12/h4,6H,2-3,10H2,1H3.
What are the key properties of 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine?
2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine has a molecular weight of 191.64 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethylpyrazol-5-yl)-2-fluoroethanamine is sourced from PubChem (CID 114667639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).