N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C7H8F3N3O — CID 1229878

IUPACN,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H8F3N3O/c1-13(2)6(14)4-3-5(12-11-4)7(8,9)10/h3H,1-2H3,(H,11,12)
InChIKeyPGIDIMYVSVXYMK-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.13
Rot. Bonds1

About N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 1229878) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID1229878
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C7H8F3N3O/c1-13(2)6(14)4-3-5(12-11-4)7(8,9)10/h3H,1-2H3,(H,11,12)
InChIKeyPGIDIMYVSVXYMK-UHFFFAOYSA-N
XLogP1.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 1229878) is N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CN(C)C(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PGIDIMYVSVXYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13(2)6(14)4-3-5(12-11-4)7(8,9)10/h3H,1-2H3,(H,11,12).
What are the key properties of N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 1229878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).