2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine

C11H19ClFN3 — CID 112567911

IUPAC2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C11H19ClFN3/c1-4-5-11(13,7-14)6-9-10(12)8(2)15-16(9)3/h4-7,14H2,1-3H3
InChIKeyVUMAZCNNHXXSLS-UHFFFAOYSA-N
MW247.74 g/mol
LogP2.39
Rot. Bonds5

About 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine (PubChem CID 112567911) has the molecular formula C11H19ClFN3 and a molecular weight of 247.74 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine
PubChem CID112567911
Molecular FormulaC11H19ClFN3
Molecular Weight247.74 g/mol
Exact Mass247.13
IUPAC Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C11H19ClFN3/c1-4-5-11(13,7-14)6-9-10(12)8(2)15-16(9)3/h4-7,14H2,1-3H3
InChIKeyVUMAZCNNHXXSLS-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
CID 112565954
4-chloro-5-[2-(chloromethyl)-2-ethylbutyl]-1,3-dimethylpyrazole
CID 66034043
4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole
CID 66060387
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312548
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
N'-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79651963
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79449846
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83159945
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol
CID 106175751
[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
CID 103312839
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 112567841
1-(4-chloro-1,3-dimethylpyrazol-5-yl)octan-2-amine
CID 104996704

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine?
The IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine (CID 112567911) is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine.
What is the SMILES notation for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine?
The canonical SMILES for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine is CCCC(F)(CN)Cc1c(Cl)c(C)nn1C.
What is the InChIKey of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine?
The InChIKey is VUMAZCNNHXXSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClFN3/c1-4-5-11(13,7-14)6-9-10(12)8(2)15-16(9)3/h4-7,14H2,1-3H3.
What are the key properties of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine?
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine has a molecular weight of 247.74 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluoropentan-1-amine is sourced from PubChem (CID 112567911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).