[3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine

C15H20FN3 — CID 82703216

IUPAC[3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine
SMILESCCc1nn(C)c(CC)c1-c1cc(CN)ccc1F
InChIInChI=1S/C15H20FN3/c1-4-13-15(14(5-2)19(3)18-13)11-8-10(9-17)6-7-12(11)16/h6-8H,4-5,9,17H2,1-3H3
InChIKeyHVEBDBNVBPRUOB-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.81
Rot. Bonds4

About [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine

[3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine (PubChem CID 82703216) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine
PubChem CID82703216
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name[3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine
SMILESCCc1nn(C)c(CC)c1-c1cc(CN)ccc1F
InChIInChI=1S/C15H20FN3/c1-4-13-15(14(5-2)19(3)18-13)11-8-10(9-17)6-7-12(11)16/h6-8H,4-5,9,17H2,1-3H3
InChIKeyHVEBDBNVBPRUOB-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine (CID 82703216) is [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine is CCc1nn(C)c(CC)c1-c1cc(CN)ccc1F.
What is the InChIKey of [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine?
The InChIKey is HVEBDBNVBPRUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-13-15(14(5-2)19(3)18-13)11-8-10(9-17)6-7-12(11)16/h6-8H,4-5,9,17H2,1-3H3.
What are the key properties of [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine?
[3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine has a molecular weight of 261.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-diethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 82703216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).