4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C8H11F3N4O — CID 70114378

IUPAC4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(CC(F)(F)F)cc1N
InChIInChI=1S/C8H11F3N4O/c1-14(2)7(16)6-5(12)3-15(13-6)4-8(9,10)11/h3H,4,12H2,1-2H3
InChIKeyDCKSZMZLFAVVHX-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.73
Rot. Bonds2

About 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 70114378) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID70114378
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(CC(F)(F)F)cc1N
InChIInChI=1S/C8H11F3N4O/c1-14(2)7(16)6-5(12)3-15(13-6)4-8(9,10)11/h3H,4,12H2,1-2H3
InChIKeyDCKSZMZLFAVVHX-UHFFFAOYSA-N
XLogP0.73
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 70114378) is 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CN(C)C(=O)c1nn(CC(F)(F)F)cc1N.
What is the InChIKey of 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is DCKSZMZLFAVVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-14(2)7(16)6-5(12)3-15(13-6)4-8(9,10)11/h3H,4,12H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 70114378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).