ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide

C12H20F3N3O — CID 145225023

IUPACethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
SMILESCC.CCc1c(CCC(F)(F)F)c(C(N)=O)nn1C
InChIInChI=1S/C10H14F3N3O.C2H6/c1-3-7-6(4-5-10(11,12)13)8(9(14)17)15-16(7)2;1-2/h3-5H2,1-2H3,(H2,14,17);1-2H3
InChIKeyPRVLCLAPUPFQHJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.60
Rot. Bonds4

About ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide

ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide (PubChem CID 145225023) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Nameethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
PubChem CID145225023
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Nameethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
SMILESCC.CCc1c(CCC(F)(F)F)c(C(N)=O)nn1C
InChIInChI=1S/C10H14F3N3O.C2H6/c1-3-7-6(4-5-10(11,12)13)8(9(14)17)15-16(7)2;1-2/h3-5H2,1-2H3,(H2,14,17);1-2H3
InChIKeyPRVLCLAPUPFQHJ-UHFFFAOYSA-N
XLogP2.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide?
The IUPAC name of ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide (CID 145225023) is ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide.
What is the SMILES notation for ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide?
The canonical SMILES for ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide is CC.CCc1c(CCC(F)(F)F)c(C(N)=O)nn1C.
What is the InChIKey of ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide?
The InChIKey is PRVLCLAPUPFQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O.C2H6/c1-3-7-6(4-5-10(11,12)13)8(9(14)17)15-16(7)2;1-2/h3-5H2,1-2H3,(H2,14,17);1-2H3.
What are the key properties of ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide?
ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 145225023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).