N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H8F6N4O — CID 103309073

IUPACN-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1[nH]nc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1N
InChIInChI=1S/C8H8F6N4O/c1-2-3(15)5(18-17-2)16-6(19)4(7(9,10)11)8(12,13)14/h4H,15H2,1H3,(H2,16,17,18,19)
InChIKeyWYOPKMQEWXFWMT-UHFFFAOYSA-N
MW290.17 g/mol
LogP1.98
Rot. Bonds2

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

N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309073) has the molecular formula C8H8F6N4O and a molecular weight of 290.17 g/mol. Its IUPAC name is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309073
Molecular FormulaC8H8F6N4O
Molecular Weight290.17 g/mol
Exact Mass290.06
IUPAC NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1[nH]nc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1N
InChIInChI=1S/C8H8F6N4O/c1-2-3(15)5(18-17-2)16-6(19)4(7(9,10)11)8(12,13)14/h4H,15H2,1H3,(H2,16,17,18,19)
InChIKeyWYOPKMQEWXFWMT-UHFFFAOYSA-N
XLogP1.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309073) is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is Cc1[nH]nc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1N.
What is the InChIKey of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is WYOPKMQEWXFWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N4O/c1-2-3(15)5(18-17-2)16-6(19)4(7(9,10)11)8(12,13)14/h4H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 290.17 g/mol, XLogP of 1.98, 2 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)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).