cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone

C11H8F3N3O — CID 162643609

IUPACcyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone
SMILESO=C(C1CC1)n1nc(C(F)(F)F)c2cnccc21
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-7-5-15-4-3-8(7)17(16-9)10(18)6-1-2-6/h3-6H,1-2H2
InChIKeyPDNZXMBXLLVNTN-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.50
Rot. Bonds1

About cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone

cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone (PubChem CID 162643609) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone
PubChem CID162643609
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Namecyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone
SMILESO=C(C1CC1)n1nc(C(F)(F)F)c2cnccc21
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-7-5-15-4-3-8(7)17(16-9)10(18)6-1-2-6/h3-6H,1-2H2
InChIKeyPDNZXMBXLLVNTN-UHFFFAOYSA-N
XLogP2.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone (CID 162643609) is cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone is O=C(C1CC1)n1nc(C(F)(F)F)c2cnccc21.
What is the InChIKey of cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone?
The InChIKey is PDNZXMBXLLVNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)9-7-5-15-4-3-8(7)17(16-9)10(18)6-1-2-6/h3-6H,1-2H2.
What are the key properties of cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone?
cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone has a molecular weight of 255.20 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone is sourced from PubChem (CID 162643609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).