4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide

C10H15F3N4O — CID 66116762

IUPAC4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCC(F)(F)F)c1N
InChIInChI=1S/C10H15F3N4O/c1-3-6-7(14)8(17(2)16-6)9(18)15-5-4-10(11,12)13/h3-5,14H2,1-2H3,(H,15,18)
InChIKeyRDFGTPSVOMHVAL-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.25
Rot. Bonds4

About 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide (PubChem CID 66116762) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
PubChem CID66116762
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCC(F)(F)F)c1N
InChIInChI=1S/C10H15F3N4O/c1-3-6-7(14)8(17(2)16-6)9(18)15-5-4-10(11,12)13/h3-5,14H2,1-2H3,(H,15,18)
InChIKeyRDFGTPSVOMHVAL-UHFFFAOYSA-N
XLogP1.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide (CID 66116762) is 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCCC(F)(F)F)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The InChIKey is RDFGTPSVOMHVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-3-6-7(14)8(17(2)16-6)9(18)15-5-4-10(11,12)13/h3-5,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66116762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).