2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine

C15H24ClF2N3 — CID 105180316

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C15H24ClF2N3/c1-4-19-13(11-5-7-15(17,18)8-6-11)9-12-10(2)20-21(3)14(12)16/h11,13,19H,4-9H2,1-3H3
InChIKeyFOKRIWRYIVVJRE-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.73
Rot. Bonds5

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine (PubChem CID 105180316) has the molecular formula C15H24ClF2N3 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
PubChem CID105180316
Molecular FormulaC15H24ClF2N3
Molecular Weight319.83 g/mol
Exact Mass319.16
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C15H24ClF2N3/c1-4-19-13(11-5-7-15(17,18)8-6-11)9-12-10(2)20-21(3)14(12)16/h11,13,19H,4-9H2,1-3H3
InChIKeyFOKRIWRYIVVJRE-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine (CID 105180316) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine is CCNC(Cc1c(C)nn(C)c1Cl)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The InChIKey is FOKRIWRYIVVJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClF2N3/c1-4-19-13(11-5-7-15(17,18)8-6-11)9-12-10(2)20-21(3)14(12)16/h11,13,19H,4-9H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine has a molecular weight of 319.83 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 105180316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).