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

C10H15F3N4O — CID 66122907

IUPAC4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-4-17-8(7(14)6(2)15-17)9(18)16(3)5-10(11,12)13/h4-5,14H2,1-3H3
InChIKeyLAVUHGSDAKZPCK-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.43
Rot. Bonds3

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

4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 66122907) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID66122907
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-4-17-8(7(14)6(2)15-17)9(18)16(3)5-10(11,12)13/h4-5,14H2,1-3H3
InChIKeyLAVUHGSDAKZPCK-UHFFFAOYSA-N
XLogP1.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 66122907) is 4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is LAVUHGSDAKZPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-4-17-8(7(14)6(2)15-17)9(18)16(3)5-10(11,12)13/h4-5,14H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66122907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).