N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C11H17F3N4O — CID 107493693

IUPACN-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-3-9-8(6-17(2)16-9)10(19)18(5-4-15)7-11(12,13)14/h6H,3-5,7,15H2,1-2H3
InChIKeyNZYQDXZPDAWZMB-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.95
Rot. Bonds5

About N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 107493693) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID107493693
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC NameN-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-3-9-8(6-17(2)16-9)10(19)18(5-4-15)7-11(12,13)14/h6H,3-5,7,15H2,1-2H3
InChIKeyNZYQDXZPDAWZMB-UHFFFAOYSA-N
XLogP0.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 107493693) is N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is NZYQDXZPDAWZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-9-8(6-17(2)16-9)10(19)18(5-4-15)7-11(12,13)14/h6H,3-5,7,15H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 107493693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).