2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

C14H18FN3 — CID 79218757

IUPAC2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCc1nn(-c2ccccc2F)c(C)c1C(C)CN
InChIInChI=1S/C14H18FN3/c1-9(8-16)14-10(2)17-18(11(14)3)13-7-5-4-6-12(13)15/h4-7,9H,8,16H2,1-3H3
InChIKeyYYGRAKUMZKNJJB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.69
Rot. Bonds3

About 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (PubChem CID 79218757) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
PubChem CID79218757
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCc1nn(-c2ccccc2F)c(C)c1C(C)CN
InChIInChI=1S/C14H18FN3/c1-9(8-16)14-10(2)17-18(11(14)3)13-7-5-4-6-12(13)15/h4-7,9H,8,16H2,1-3H3
InChIKeyYYGRAKUMZKNJJB-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The IUPAC name of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (CID 79218757) is 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is Cc1nn(-c2ccccc2F)c(C)c1C(C)CN.
What is the InChIKey of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The InChIKey is YYGRAKUMZKNJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-9(8-16)14-10(2)17-18(11(14)3)13-7-5-4-6-12(13)15/h4-7,9H,8,16H2,1-3H3.
What are the key properties of 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 79218757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).