3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine

C10H17ClFN3 — CID 112565087

IUPAC3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCCc1nn(C)c(CC(C)(F)CN)c1Cl
InChIInChI=1S/C10H17ClFN3/c1-4-7-9(11)8(15(3)14-7)5-10(2,12)6-13/h4-6,13H2,1-3H3
InChIKeyOPCWKKXDQGDSFZ-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.87
Rot. Bonds4

About 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine

3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 112565087) has the molecular formula C10H17ClFN3 and a molecular weight of 233.72 g/mol. Its IUPAC name is 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine
PubChem CID112565087
Molecular FormulaC10H17ClFN3
Molecular Weight233.72 g/mol
Exact Mass233.11
IUPAC Name3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCCc1nn(C)c(CC(C)(F)CN)c1Cl
InChIInChI=1S/C10H17ClFN3/c1-4-7-9(11)8(15(3)14-7)5-10(2,12)6-13/h4-6,13H2,1-3H3
InChIKeyOPCWKKXDQGDSFZ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine (CID 112565087) is 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine is CCc1nn(C)c(CC(C)(F)CN)c1Cl.
What is the InChIKey of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is OPCWKKXDQGDSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClFN3/c1-4-7-9(11)8(15(3)14-7)5-10(2,12)6-13/h4-6,13H2,1-3H3.
What are the key properties of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine?
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 233.72 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 112565087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).