3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine

C9H14FN3 — CID 144912798

IUPAC3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1nc(C2CC2)c(F)c1N
InChIInChI=1S/C9H14FN3/c1-5(2)13-9(11)7(10)8(12-13)6-3-4-6/h5-6H,3-4,11H2,1-2H3
InChIKeyXLUIZFGWXGAZIN-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.06
Rot. Bonds2

About 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine

3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine (PubChem CID 144912798) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine
PubChem CID144912798
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1nc(C2CC2)c(F)c1N
InChIInChI=1S/C9H14FN3/c1-5(2)13-9(11)7(10)8(12-13)6-3-4-6/h5-6H,3-4,11H2,1-2H3
InChIKeyXLUIZFGWXGAZIN-UHFFFAOYSA-N
XLogP2.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine (CID 144912798) is 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine is CC(C)n1nc(C2CC2)c(F)c1N.
What is the InChIKey of 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine?
The InChIKey is XLUIZFGWXGAZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-5(2)13-9(11)7(10)8(12-13)6-3-4-6/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine?
3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine has a molecular weight of 183.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-fluoro-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 144912798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).