4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid

C9H8F3N5O3S — CID 156692464

IUPAC4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid
SMILESCc1nnsc1C(=O)NC1(C(=O)O)C=NNC1C(F)(F)F
InChIInChI=1S/C9H8F3N5O3S/c1-3-4(21-17-15-3)5(18)14-8(7(19)20)2-13-16-6(8)9(10,11)12/h2,6,16H,1H3,(H,14,18)(H,19,20)
InChIKeyYXBAFMCFZCIBIX-UHFFFAOYSA-N
MW323.26 g/mol
LogP-0.08
Rot. Bonds3

About 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid

4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid (PubChem CID 156692464) has the molecular formula C9H8F3N5O3S and a molecular weight of 323.26 g/mol. Its IUPAC name is 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid
PubChem CID156692464
Molecular FormulaC9H8F3N5O3S
Molecular Weight323.26 g/mol
Exact Mass323.03
IUPAC Name4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid
SMILESCc1nnsc1C(=O)NC1(C(=O)O)C=NNC1C(F)(F)F
InChIInChI=1S/C9H8F3N5O3S/c1-3-4(21-17-15-3)5(18)14-8(7(19)20)2-13-16-6(8)9(10,11)12/h2,6,16H,1H3,(H,14,18)(H,19,20)
InChIKeyYXBAFMCFZCIBIX-UHFFFAOYSA-N
XLogP-0.08
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid (CID 156692464) is 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid is Cc1nnsc1C(=O)NC1(C(=O)O)C=NNC1C(F)(F)F.
What is the InChIKey of 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid?
The InChIKey is YXBAFMCFZCIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O3S/c1-3-4(21-17-15-3)5(18)14-8(7(19)20)2-13-16-6(8)9(10,11)12/h2,6,16H,1H3,(H,14,18)(H,19,20).
What are the key properties of 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid?
4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid has a molecular weight of 323.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylthiadiazole-5-carbonyl)amino]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 156692464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).