1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine

C11H15F2N5O — CID 99822995

IUPAC1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine
SMILESCCc1noc([C@@H](C)Nc2cnn(CC(F)F)c2)n1
InChIInChI=1S/C11H15F2N5O/c1-3-10-16-11(19-17-10)7(2)15-8-4-14-18(5-8)6-9(12)13/h4-5,7,9,15H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyBTPDLSYTZVIAIV-SSDOTTSWSA-N
MW271.27 g/mol
LogP2.27
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine

1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine (PubChem CID 99822995) has the molecular formula C11H15F2N5O and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine
PubChem CID99822995
Molecular FormulaC11H15F2N5O
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine
SMILESCCc1noc([C@@H](C)Nc2cnn(CC(F)F)c2)n1
InChIInChI=1S/C11H15F2N5O/c1-3-10-16-11(19-17-10)7(2)15-8-4-14-18(5-8)6-9(12)13/h4-5,7,9,15H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyBTPDLSYTZVIAIV-SSDOTTSWSA-N
XLogP2.27
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine (CID 99822995) is 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine is CCc1noc([C@@H](C)Nc2cnn(CC(F)F)c2)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine?
The InChIKey is BTPDLSYTZVIAIV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15F2N5O/c1-3-10-16-11(19-17-10)7(2)15-8-4-14-18(5-8)6-9(12)13/h4-5,7,9,15H,3,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine?
1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine has a molecular weight of 271.27 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 99822995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).