2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine

C9H14FN3 — CID 112567056

IUPAC2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(F)(CN)C2CC2)cn1
InChIInChI=1S/C9H14FN3/c1-13-5-8(4-12-13)9(10,6-11)7-2-3-7/h4-5,7H,2-3,6,11H2,1H3
InChIKeyOKHLTUQMXNVPIB-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.95
Rot. Bonds3

About 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine

2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 112567056) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID112567056
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(F)(CN)C2CC2)cn1
InChIInChI=1S/C9H14FN3/c1-13-5-8(4-12-13)9(10,6-11)7-2-3-7/h4-5,7H,2-3,6,11H2,1H3
InChIKeyOKHLTUQMXNVPIB-UHFFFAOYSA-N
XLogP0.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine (CID 112567056) is 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(C(F)(CN)C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is OKHLTUQMXNVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-13-5-8(4-12-13)9(10,6-11)7-2-3-7/h4-5,7H,2-3,6,11H2,1H3.
What are the key properties of 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine?
2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 183.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 112567056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).