1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C12H18F3N3O — CID 70771440

IUPAC1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-4-18-10(6-9(17-18)5-8(2)3)11(19)16-7-12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H,16,19)
InChIKeyFGRVMRHCHCVNGQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.39
Rot. Bonds5

About 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 70771440) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID70771440
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-4-18-10(6-9(17-18)5-8(2)3)11(19)16-7-12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H,16,19)
InChIKeyFGRVMRHCHCVNGQ-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 70771440) is 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)NCC(F)(F)F.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is FGRVMRHCHCVNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-18-10(6-9(17-18)5-8(2)3)11(19)16-7-12(13,14)15/h6,8H,4-5,7H2,1-3H3,(H,16,19).
What are the key properties of 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70771440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).