3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine

C12H14FN3O — CID 115040697

IUPAC3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(Oc2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O/c13-11-4-1-2-5-12(11)17-10-8-15-16(9-10)7-3-6-14/h1-2,4-5,8-9H,3,6-7,14H2
InChIKeyHQXKUXXJPPVIJB-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.16
Rot. Bonds5

About 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine

3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine (PubChem CID 115040697) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine
PubChem CID115040697
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(Oc2ccccc2F)cn1
InChIInChI=1S/C12H14FN3O/c13-11-4-1-2-5-12(11)17-10-8-15-16(9-10)7-3-6-14/h1-2,4-5,8-9H,3,6-7,14H2
InChIKeyHQXKUXXJPPVIJB-UHFFFAOYSA-N
XLogP2.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine (CID 115040697) is 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine is NCCCn1cc(Oc2ccccc2F)cn1.
What is the InChIKey of 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine?
The InChIKey is HQXKUXXJPPVIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-11-4-1-2-5-12(11)17-10-8-15-16(9-10)7-3-6-14/h1-2,4-5,8-9H,3,6-7,14H2.
What are the key properties of 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine?
3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine has a molecular weight of 235.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenoxy)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 115040697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).