4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C6H7F3N4O — CID 132586707

IUPAC4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1c(N)cnn1CC(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)2-13-4(5(11)14)3(10)1-12-13/h1H,2,10H2,(H2,11,14)
InChIKeyAKEYVBXBPPUYCV-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.13
Rot. Bonds2

About 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 132586707) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID132586707
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1c(N)cnn1CC(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)2-13-4(5(11)14)3(10)1-12-13/h1H,2,10H2,(H2,11,14)
InChIKeyAKEYVBXBPPUYCV-UHFFFAOYSA-N
XLogP0.13
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 70114528
4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 132586699
2-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 175864477
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335
2-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-2-methylpropanamide
CID 114434933
5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 175848661
2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]ethyl carbamate
CID 114441267
3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 175885239
4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 10491686
S-methyl 4-amino-1-ethylpyrazole-5-carbothioate
CID 117219174
1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid
CID 91811858
2-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]oxyacetic acid
CID 138610710

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 132586707) is 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is NC(=O)c1c(N)cnn1CC(F)(F)F.
What is the InChIKey of 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is AKEYVBXBPPUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)2-13-4(5(11)14)3(10)1-12-13/h1H,2,10H2,(H2,11,14).
What are the key properties of 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 208.14 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 132586707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).