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

C6H7F3N4O — CID 107335227

IUPACN-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCc1[nH]nc(NC(=O)C(F)(F)F)c1N
InChIInChI=1S/C6H7F3N4O/c1-2-3(10)4(13-12-2)11-5(14)6(7,8)9/h10H2,1H3,(H2,11,12,13,14)
InChIKeyWINKKGKGSBDOAU-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.80
Rot. Bonds1

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

N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 107335227) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID107335227
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCc1[nH]nc(NC(=O)C(F)(F)F)c1N
InChIInChI=1S/C6H7F3N4O/c1-2-3(10)4(13-12-2)11-5(14)6(7,8)9/h10H2,1H3,(H2,11,12,13,14)
InChIKeyWINKKGKGSBDOAU-UHFFFAOYSA-N
XLogP0.80
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15312520
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N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
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N-(4-Chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoro-acetamide
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N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 47474927
N-[4-iodo-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717285
ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 144617155
3,3,3-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 60974181
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CID 75449518

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide (CID 107335227) is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide is Cc1[nH]nc(NC(=O)C(F)(F)F)c1N.
What is the InChIKey of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is WINKKGKGSBDOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-2-3(10)4(13-12-2)11-5(14)6(7,8)9/h10H2,1H3,(H2,11,12,13,14).
What are the key properties of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide?
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 208.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 107335227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).