(2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine

C14H18FN3 — CID 90069325

IUPAC(2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine
SMILESCCN[C@H](C)Cn1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN3/c1-3-16-11(2)10-18-9-8-14(17-18)12-4-6-13(15)7-5-12/h4-9,11,16H,3,10H2,1-2H3/t11-/m1/s1
InChIKeyUGDCVORBSMMXQZ-LLVKDONJSA-N
MW247.32 g/mol
LogP2.69
Rot. Bonds5

About (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine

(2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine (PubChem CID 90069325) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine
PubChem CID90069325
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name(2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine
SMILESCCN[C@H](C)Cn1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN3/c1-3-16-11(2)10-18-9-8-14(17-18)12-4-6-13(15)7-5-12/h4-9,11,16H,3,10H2,1-2H3/t11-/m1/s1
InChIKeyUGDCVORBSMMXQZ-LLVKDONJSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine?
The IUPAC name of (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine (CID 90069325) is (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine.
What is the SMILES notation for (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine?
The canonical SMILES for (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine is CCN[C@H](C)Cn1ccc(-c2ccc(F)cc2)n1.
What is the InChIKey of (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine?
The InChIKey is UGDCVORBSMMXQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-16-11(2)10-18-9-8-14(17-18)12-4-6-13(15)7-5-12/h4-9,11,16H,3,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine?
(2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-1-[3-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine is sourced from PubChem (CID 90069325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).