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

C12H17F3N4O — CID 66116753

IUPAC4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CC(F)(F)F)C2CC2)c1N
InChIInChI=1S/C12H17F3N4O/c1-3-8-9(16)10(18(2)17-8)11(20)19(7-4-5-7)6-12(13,14)15/h7H,3-6,16H2,1-2H3
InChIKeyIZLVVOZBIBVWAI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.73
Rot. Bonds4

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

4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 66116753) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID66116753
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CC(F)(F)F)C2CC2)c1N
InChIInChI=1S/C12H17F3N4O/c1-3-8-9(16)10(18(2)17-8)11(20)19(7-4-5-7)6-12(13,14)15/h7H,3-6,16H2,1-2H3
InChIKeyIZLVVOZBIBVWAI-UHFFFAOYSA-N
XLogP1.73
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 66116753) is 4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(CC(F)(F)F)C2CC2)c1N.
What is the InChIKey of 4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is IZLVVOZBIBVWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-3-8-9(16)10(18(2)17-8)11(20)19(7-4-5-7)6-12(13,14)15/h7H,3-6,16H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66116753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).