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

C9H13F3N4O2 — CID 104625736

IUPAC5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)N(CCO)CC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O2/c1-15-7(13)6(4-14-15)8(18)16(2-3-17)5-9(10,11)12/h4,17H,2-3,5,13H2,1H3
InChIKeyBHRFOEDSOBHKGF-UHFFFAOYSA-N
MW266.22 g/mol
LogP-0.00
Rot. Bonds4

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

5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 104625736) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID104625736
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)N(CCO)CC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O2/c1-15-7(13)6(4-14-15)8(18)16(2-3-17)5-9(10,11)12/h4,17H,2-3,5,13H2,1H3
InChIKeyBHRFOEDSOBHKGF-UHFFFAOYSA-N
XLogP-0.00
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111
N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61234511
2-[(1,5-dimethylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78925294
5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide
CID 112663204
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 113288554
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 115330607
3-amino-2,5-difluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107120758
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide
CID 115330529
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 115330507
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 114034182
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 65359633

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 104625736) is 5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)N(CCO)CC(F)(F)F)c1N.
What is the InChIKey of 5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is BHRFOEDSOBHKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-15-7(13)6(4-14-15)8(18)16(2-3-17)5-9(10,11)12/h4,17H,2-3,5,13H2,1H3.
What are the key properties of 5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 266.22 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 104625736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).