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

C10H17ClFN3 — CID 112566126

IUPAC2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
SMILESCCC(F)(CN)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C10H17ClFN3/c1-4-10(12,6-13)5-8-9(11)7(2)14-15(8)3/h4-6,13H2,1-3H3
InChIKeyGNKBSXASTGCKCN-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.00
Rot. Bonds4

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

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine (PubChem CID 112566126) has the molecular formula C10H17ClFN3 and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
PubChem CID112566126
Molecular FormulaC10H17ClFN3
Molecular Weight233.72 g/mol
Exact Mass233.11
IUPAC Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
SMILESCCC(F)(CN)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C10H17ClFN3/c1-4-10(12,6-13)5-8-9(11)7(2)14-15(8)3/h4-6,13H2,1-3H3
InChIKeyGNKBSXASTGCKCN-UHFFFAOYSA-N
XLogP2.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine?
The IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine (CID 112566126) is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine.
What is the SMILES notation for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine?
The canonical SMILES for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine is CCC(F)(CN)Cc1c(Cl)c(C)nn1C.
What is the InChIKey of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine?
The InChIKey is GNKBSXASTGCKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClFN3/c1-4-10(12,6-13)5-8-9(11)7(2)14-15(8)3/h4-6,13H2,1-3H3.
What are the key properties of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine?
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine has a molecular weight of 233.72 g/mol, XLogP of 2.00, 4 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-fluorobutan-1-amine is sourced from PubChem (CID 112566126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).