1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

C17H24FN3O — CID 84594492

IUPAC1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CNC(C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O/c1-11(9-17(22)14-5-7-15(18)8-6-14)19-10-16-12(2)20-21(4)13(16)3/h5-8,11,17,19,22H,9-10H2,1-4H3
InChIKeyNFSAHMCCAAULCG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (PubChem CID 84594492) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
PubChem CID84594492
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CNC(C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O/c1-11(9-17(22)14-5-7-15(18)8-6-14)19-10-16-12(2)20-21(4)13(16)3/h5-8,11,17,19,22H,9-10H2,1-4H3
InChIKeyNFSAHMCCAAULCG-UHFFFAOYSA-N
XLogP2.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (CID 84594492) is 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is Cc1nn(C)c(C)c1CNC(C)CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The InChIKey is NFSAHMCCAAULCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-11(9-17(22)14-5-7-15(18)8-6-14)19-10-16-12(2)20-21(4)13(16)3/h5-8,11,17,19,22H,9-10H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol has a molecular weight of 305.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 84594492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).