3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine

C15H18FN3 — CID 54896470

IUPAC3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCc1[nH]ncc1CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3/c1-10-13(9-18-19-10)8-17-15-6-12(7-15)11-2-4-14(16)5-3-11/h2-5,9,12,15,17H,6-8H2,1H3,(H,18,19)
InChIKeyMGRNFPVRMAWSLU-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.89
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 54896470) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID54896470
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCc1[nH]ncc1CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3/c1-10-13(9-18-19-10)8-17-15-6-12(7-15)11-2-4-14(16)5-3-11/h2-5,9,12,15,17H,6-8H2,1H3,(H,18,19)
InChIKeyMGRNFPVRMAWSLU-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine (CID 54896470) is 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine is Cc1[nH]ncc1CNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is MGRNFPVRMAWSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-13(9-18-19-10)8-17-15-6-12(7-15)11-2-4-14(16)5-3-11/h2-5,9,12,15,17H,6-8H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 259.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 54896470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).