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

C10H15ClFN3 — CID 112564162

IUPAC3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine
SMILESCc1nn(C)c(CC2(F)CC(N)C2)c1Cl
InChIInChI=1S/C10H15ClFN3/c1-6-9(11)8(15(2)14-6)5-10(12)3-7(13)4-10/h7H,3-5,13H2,1-2H3
InChIKeyFJBCRICSOYEGNN-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.75
Rot. Bonds2

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

3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine (PubChem CID 112564162) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine
PubChem CID112564162
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine
SMILESCc1nn(C)c(CC2(F)CC(N)C2)c1Cl
InChIInChI=1S/C10H15ClFN3/c1-6-9(11)8(15(2)14-6)5-10(12)3-7(13)4-10/h7H,3-5,13H2,1-2H3
InChIKeyFJBCRICSOYEGNN-UHFFFAOYSA-N
XLogP1.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine (CID 112564162) is 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine is Cc1nn(C)c(CC2(F)CC(N)C2)c1Cl.
What is the InChIKey of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine?
The InChIKey is FJBCRICSOYEGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-6-9(11)8(15(2)14-6)5-10(12)3-7(13)4-10/h7H,3-5,13H2,1-2H3.
What are the key properties of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine?
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine has a molecular weight of 231.70 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112564162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).