3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine

C8H12FN3 — CID 146201950

IUPAC3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine
SMILESCCn1nc(C2CC2)c(F)c1N
InChIInChI=1S/C8H12FN3/c1-2-12-8(10)6(9)7(11-12)5-3-4-5/h5H,2-4,10H2,1H3
InChIKeyPNITXUHJJMWMLT-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.50
Rot. Bonds2

About 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine

3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine (PubChem CID 146201950) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine
PubChem CID146201950
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine
SMILESCCn1nc(C2CC2)c(F)c1N
InChIInChI=1S/C8H12FN3/c1-2-12-8(10)6(9)7(11-12)5-3-4-5/h5H,2-4,10H2,1H3
InChIKeyPNITXUHJJMWMLT-UHFFFAOYSA-N
XLogP1.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine?
The IUPAC name of 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine (CID 146201950) is 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine?
The canonical SMILES for 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine is CCn1nc(C2CC2)c(F)c1N.
What is the InChIKey of 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine?
The InChIKey is PNITXUHJJMWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-2-12-8(10)6(9)7(11-12)5-3-4-5/h5H,2-4,10H2,1H3.
What are the key properties of 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine?
3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine has a molecular weight of 169.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-4-fluoropyrazol-5-amine is sourced from PubChem (CID 146201950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).