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

C6H7F3N4O — CID 64525204

IUPAC3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCC(F)(F)F)[nH]n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)2-11-5(14)3-1-4(10)13-12-3/h1H,2H2,(H,11,14)(H3,10,12,13)
InChIKeySEKKXBUUMZOFQD-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.28
Rot. Bonds2

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

3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64525204) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID64525204
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCC(F)(F)F)[nH]n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)2-11-5(14)3-1-4(10)13-12-3/h1H,2H2,(H,11,14)(H3,10,12,13)
InChIKeySEKKXBUUMZOFQD-UHFFFAOYSA-N
XLogP0.28
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 64525204) is 3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCC(F)(F)F)[nH]n1.
What is the InChIKey of 3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SEKKXBUUMZOFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)2-11-5(14)3-1-4(10)13-12-3/h1H,2H2,(H,11,14)(H3,10,12,13).
What are the key properties of 3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 208.14 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).