2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine

C22H26FN3 — CID 58757366

IUPAC2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine
SMILESCCn1nc(CCc2ccc(F)cc2)cc1-c1cccc(C(C)(C)N)c1
InChIInChI=1S/C22H26FN3/c1-4-26-21(17-6-5-7-18(14-17)22(2,3)24)15-20(25-26)13-10-16-8-11-19(23)12-9-16/h5-9,11-12,14-15H,4,10,13,24H2,1-3H3
InChIKeyGKHJVISQORPULI-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.69
Rot. Bonds6

About 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine

2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine (PubChem CID 58757366) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine
PubChem CID58757366
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC Name2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine
SMILESCCn1nc(CCc2ccc(F)cc2)cc1-c1cccc(C(C)(C)N)c1
InChIInChI=1S/C22H26FN3/c1-4-26-21(17-6-5-7-18(14-17)22(2,3)24)15-20(25-26)13-10-16-8-11-19(23)12-9-16/h5-9,11-12,14-15H,4,10,13,24H2,1-3H3
InChIKeyGKHJVISQORPULI-UHFFFAOYSA-N
XLogP4.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine?
The IUPAC name of 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine (CID 58757366) is 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine?
The canonical SMILES for 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine is CCn1nc(CCc2ccc(F)cc2)cc1-c1cccc(C(C)(C)N)c1.
What is the InChIKey of 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine?
The InChIKey is GKHJVISQORPULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3/c1-4-26-21(17-6-5-7-18(14-17)22(2,3)24)15-20(25-26)13-10-16-8-11-19(23)12-9-16/h5-9,11-12,14-15H,4,10,13,24H2,1-3H3.
What are the key properties of 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine?
2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine has a molecular weight of 351.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-ethyl-3-[2-(4-fluorophenyl)ethyl]pyrazol-5-yl]phenyl]propan-2-amine is sourced from PubChem (CID 58757366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).