N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C13H20F3N3O — CID 75394935

IUPACN-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N(CC)CC(F)(F)F)c1C
InChIInChI=1S/C13H20F3N3O/c1-5-7-19-10(4)11(9(3)17-19)12(20)18(6-2)8-13(14,15)16/h5-8H2,1-4H3
InChIKeyBEVHKIGCCSCEHM-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.93
Rot. Bonds5

About N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 75394935) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID75394935
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)N(CC)CC(F)(F)F)c1C
InChIInChI=1S/C13H20F3N3O/c1-5-7-19-10(4)11(9(3)17-19)12(20)18(6-2)8-13(14,15)16/h5-8H2,1-4H3
InChIKeyBEVHKIGCCSCEHM-UHFFFAOYSA-N
XLogP2.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 75394935) is N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CCCn1nc(C)c(C(=O)N(CC)CC(F)(F)F)c1C.
What is the InChIKey of N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is BEVHKIGCCSCEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-5-7-19-10(4)11(9(3)17-19)12(20)18(6-2)8-13(14,15)16/h5-8H2,1-4H3.
What are the key properties of N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75394935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).