3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C8H11F3N4O — CID 60890845

IUPAC3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4-5(6(12)14-13-4)7(16)15(2)3-8(9,10)11/h3H2,1-2H3,(H3,12,13,14)
InChIKeyITLULOFHBLTFQQ-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.93
Rot. Bonds2

About 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60890845) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID60890845
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4-5(6(12)14-13-4)7(16)15(2)3-8(9,10)11/h3H2,1-2H3,(H3,12,13,14)
InChIKeyITLULOFHBLTFQQ-UHFFFAOYSA-N
XLogP0.93
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 60890845) is 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ITLULOFHBLTFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4-5(6(12)14-13-4)7(16)15(2)3-8(9,10)11/h3H2,1-2H3,(H3,12,13,14).
What are the key properties of 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60890845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).