[3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine

C14H18FN3 — CID 81440629

IUPAC[3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
SMILESCCCn1ncc(-c2ccc(CN)cc2F)c1C
InChIInChI=1S/C14H18FN3/c1-3-6-18-10(2)13(9-17-18)12-5-4-11(8-16)7-14(12)15/h4-5,7,9H,3,6,8,16H2,1-2H3
InChIKeyQTFRILHJJGYGSR-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.87
Rot. Bonds4

About [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine

[3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine (PubChem CID 81440629) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
PubChem CID81440629
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name[3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
SMILESCCCn1ncc(-c2ccc(CN)cc2F)c1C
InChIInChI=1S/C14H18FN3/c1-3-6-18-10(2)13(9-17-18)12-5-4-11(8-16)7-14(12)15/h4-5,7,9H,3,6,8,16H2,1-2H3
InChIKeyQTFRILHJJGYGSR-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine (CID 81440629) is [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine is CCCn1ncc(-c2ccc(CN)cc2F)c1C.
What is the InChIKey of [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is QTFRILHJJGYGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-6-18-10(2)13(9-17-18)12-5-4-11(8-16)7-14(12)15/h4-5,7,9H,3,6,8,16H2,1-2H3.
What are the key properties of [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
[3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 81440629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).