3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine

C11H17ClFN3 — CID 112563973

IUPAC3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine
SMILESCCn1nc(C)c(Cl)c1CC1(F)CC(N)C1
InChIInChI=1S/C11H17ClFN3/c1-3-16-9(10(12)7(2)15-16)6-11(13)4-8(14)5-11/h8H,3-6,14H2,1-2H3
InChIKeyNKETVYOKBHLLJA-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.24
Rot. Bonds3

About 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine

3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine (PubChem CID 112563973) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine
PubChem CID112563973
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC Name3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine
SMILESCCn1nc(C)c(Cl)c1CC1(F)CC(N)C1
InChIInChI=1S/C11H17ClFN3/c1-3-16-9(10(12)7(2)15-16)6-11(13)4-8(14)5-11/h8H,3-6,14H2,1-2H3
InChIKeyNKETVYOKBHLLJA-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.24
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-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine (CID 112563973) is 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine is CCn1nc(C)c(Cl)c1CC1(F)CC(N)C1.
What is the InChIKey of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine?
The InChIKey is NKETVYOKBHLLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-3-16-9(10(12)7(2)15-16)6-11(13)4-8(14)5-11/h8H,3-6,14H2,1-2H3.
What are the key properties of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine?
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine has a molecular weight of 245.73 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112563973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).