N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H11F3N4O2 — CID 103205711

IUPACN-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1[nH]nc(NC(=O)COCC(F)(F)F)c1N
InChIInChI=1S/C8H11F3N4O2/c1-4-6(12)7(15-14-4)13-5(16)2-17-3-8(9,10)11/h2-3,12H2,1H3,(H2,13,14,15,16)
InChIKeyJTEGCLWPEKGXJB-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.82
Rot. Bonds4

About N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205711) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205711
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1[nH]nc(NC(=O)COCC(F)(F)F)c1N
InChIInChI=1S/C8H11F3N4O2/c1-4-6(12)7(15-14-4)13-5(16)2-17-3-8(9,10)11/h2-3,12H2,1H3,(H2,13,14,15,16)
InChIKeyJTEGCLWPEKGXJB-UHFFFAOYSA-N
XLogP0.82
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 47477433
2,2,2-trifluoro-N-[3-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
CID 12372663
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide
CID 80359699
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutanamide
CID 80360489
(2S)-2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 94221431
(2R)-2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 94221432
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205712
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205713
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309073
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide
CID 107335227
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide
CID 108052623
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide
CID 108093179

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205711) is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1[nH]nc(NC(=O)COCC(F)(F)F)c1N.
What is the InChIKey of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JTEGCLWPEKGXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-4-6(12)7(15-14-4)13-5(16)2-17-3-8(9,10)11/h2-3,12H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 252.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).