N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C12H17F3N4O2 — CID 60958670

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-7-10(8(2)17-16-7)11(21)19(6-12(13,14)15)5-9(20)18(3)4/h5-6H2,1-4H3,(H,16,17)
InChIKeyQMHYWPUAZFNDFV-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.12
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60958670) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID60958670
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-7-10(8(2)17-16-7)11(21)19(6-12(13,14)15)5-9(20)18(3)4/h5-6H2,1-4H3,(H,16,17)
InChIKeyQMHYWPUAZFNDFV-UHFFFAOYSA-N
XLogP1.12
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 60958670) is N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is QMHYWPUAZFNDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-7-10(8(2)17-16-7)11(21)19(6-12(13,14)15)5-9(20)18(3)4/h5-6H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60958670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).