sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid

C9H7F3N3NaO2S — CID 174984558

IUPACsodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)O.[H-].[Na+]
InChIInChI=1S/C9H6F3N3O2S.Na.H/c1-15-6(8(16)17)4(2-13-15)7-14-5(3-18-7)9(10,11)12;;/h2-3H,1H3,(H,16,17);;/q;+1;-1
InChIKeyJIUIHCQUZAUUHN-UHFFFAOYSA-N
MW301.23 g/mol
LogP-0.62
Rot. Bonds2

About sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid

sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid (PubChem CID 174984558) has the molecular formula C9H7F3N3NaO2S and a molecular weight of 301.23 g/mol. Its IUPAC name is sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid
PubChem CID174984558
Molecular FormulaC9H7F3N3NaO2S
Molecular Weight301.23 g/mol
Exact Mass301.01
IUPAC Namesodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)O.[H-].[Na+]
InChIInChI=1S/C9H6F3N3O2S.Na.H/c1-15-6(8(16)17)4(2-13-15)7-14-5(3-18-7)9(10,11)12;;/h2-3H,1H3,(H,16,17);;/q;+1;-1
InChIKeyJIUIHCQUZAUUHN-UHFFFAOYSA-N
XLogP-0.62
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid?
The IUPAC name of sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid (CID 174984558) is sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid.
What is the SMILES notation for sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid?
The canonical SMILES for sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid is Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid?
The InChIKey is JIUIHCQUZAUUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2S.Na.H/c1-15-6(8(16)17)4(2-13-15)7-14-5(3-18-7)9(10,11)12;;/h2-3H,1H3,(H,16,17);;/q;+1;-1.
What are the key properties of sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid?
sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid has a molecular weight of 301.23 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 174984558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).