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

C13H21F3N4O — CID 66124733

IUPAC4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CC(C)C)CC(F)(F)F)c1N
InChIInChI=1S/C13H21F3N4O/c1-5-9-10(17)11(19(4)18-9)12(21)20(6-8(2)3)7-13(14,15)16/h8H,5-7,17H2,1-4H3
InChIKeyUTHMTPHWRHQTAG-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.23
Rot. Bonds5

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

4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 66124733) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID66124733
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CC(C)C)CC(F)(F)F)c1N
InChIInChI=1S/C13H21F3N4O/c1-5-9-10(17)11(19(4)18-9)12(21)20(6-8(2)3)7-13(14,15)16/h8H,5-7,17H2,1-4H3
InChIKeyUTHMTPHWRHQTAG-UHFFFAOYSA-N
XLogP2.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 66124733) is 4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(CC(C)C)CC(F)(F)F)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is UTHMTPHWRHQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-5-9-10(17)11(19(4)18-9)12(21)20(6-8(2)3)7-13(14,15)16/h8H,5-7,17H2,1-4H3.
What are the key properties of 4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66124733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).