N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C7H8F3N3O — CID 126770547

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1ccn[nH]1
InChIInChI=1S/C7H8F3N3O/c1-13(4-7(8,9)10)6(14)5-2-3-11-12-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyHNLUSSZFITVGFJ-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.04
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 126770547) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID126770547
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1ccn[nH]1
InChIInChI=1S/C7H8F3N3O/c1-13(4-7(8,9)10)6(14)5-2-3-11-12-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyHNLUSSZFITVGFJ-UHFFFAOYSA-N
XLogP1.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 126770547) is N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CN(CC(F)(F)F)C(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HNLUSSZFITVGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13(4-7(8,9)10)6(14)5-2-3-11-12-5/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 126770547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).