1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C18H24FN3O — CID 125419518

IUPAC1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNC[C@@H]1CCO[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O/c1-12-17(13(2)22(3)21-12)11-20-10-15-8-9-23-18(15)14-4-6-16(19)7-5-14/h4-7,15,18,20H,8-11H2,1-3H3/t15-,18-/m0/s1
InChIKeyPNKUZOSYWHRKCP-YJBOKZPZSA-N
MW317.41 g/mol
LogP3.04
Rot. Bonds5

About 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 125419518) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID125419518
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNC[C@@H]1CCO[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O/c1-12-17(13(2)22(3)21-12)11-20-10-15-8-9-23-18(15)14-4-6-16(19)7-5-14/h4-7,15,18,20H,8-11H2,1-3H3/t15-,18-/m0/s1
InChIKeyPNKUZOSYWHRKCP-YJBOKZPZSA-N
XLogP3.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 125419518) is 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNC[C@@H]1CCO[C@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is PNKUZOSYWHRKCP-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-12-17(13(2)22(3)21-12)11-20-10-15-8-9-23-18(15)14-4-6-16(19)7-5-14/h4-7,15,18,20H,8-11H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 317.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 125419518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).