(4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

C15H19ClF3N3O — CID 138036709

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCC(C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C15H19ClF3N3O/c1-2-22-12(10(16)8-20-22)13(23)21-7-4-11(15(17,18)19)14(9-21)5-3-6-14/h8,11H,2-7,9H2,1H3
InChIKeyYVUHEWPXPLISDA-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.75
Rot. Bonds2

About (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

(4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (PubChem CID 138036709) has the molecular formula C15H19ClF3N3O and a molecular weight of 349.78 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
PubChem CID138036709
Molecular FormulaC15H19ClF3N3O
Molecular Weight349.78 g/mol
Exact Mass349.12
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCC(C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C15H19ClF3N3O/c1-2-22-12(10(16)8-20-22)13(23)21-7-4-11(15(17,18)19)14(9-21)5-3-6-14/h8,11H,2-7,9H2,1H3
InChIKeyYVUHEWPXPLISDA-UHFFFAOYSA-N
XLogP3.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (CID 138036709) is (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is CCn1ncc(Cl)c1C(=O)N1CCC(C(F)(F)F)C2(CCC2)C1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The InChIKey is YVUHEWPXPLISDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N3O/c1-2-22-12(10(16)8-20-22)13(23)21-7-4-11(15(17,18)19)14(9-21)5-3-6-14/h8,11H,2-7,9H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
(4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone has a molecular weight of 349.78 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is sourced from PubChem (CID 138036709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).