4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

C14H25ClFN3O — CID 103392485

IUPAC4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCc1nn(CC)c(CC(F)(CCCN)COC)c1Cl
InChIInChI=1S/C14H25ClFN3O/c1-4-11-13(15)12(19(5-2)18-11)9-14(16,10-20-3)7-6-8-17/h4-10,17H2,1-3H3
InChIKeyFCBIURITLGRYIL-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.75
Rot. Bonds9

About 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392485) has the molecular formula C14H25ClFN3O and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392485
Molecular FormulaC14H25ClFN3O
Molecular Weight305.83 g/mol
Exact Mass305.17
IUPAC Name4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCc1nn(CC)c(CC(F)(CCCN)COC)c1Cl
InChIInChI=1S/C14H25ClFN3O/c1-4-11-13(15)12(19(5-2)18-11)9-14(16,10-20-3)7-6-8-17/h4-10,17H2,1-3H3
InChIKeyFCBIURITLGRYIL-UHFFFAOYSA-N
XLogP2.75
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine 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 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392485) is 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is CCc1nn(CC)c(CC(F)(CCCN)COC)c1Cl.
What is the InChIKey of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is FCBIURITLGRYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClFN3O/c1-4-11-13(15)12(19(5-2)18-11)9-14(16,10-20-3)7-6-8-17/h4-10,17H2,1-3H3.
What are the key properties of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 305.83 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).