1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide

C11H9F3N4O2S — CID 1488098

IUPAC1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2cccs2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O2S/c1-18-5-6(8(17-18)11(12,13)14)9(19)15-16-10(20)7-3-2-4-21-7/h2-5H,1H3,(H,15,19)(H,16,20)
InChIKeyDTUAWDRDFVXTOH-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.58
Rot. Bonds2

About 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide

1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 1488098) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID1488098
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC Name1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2cccs2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O2S/c1-18-5-6(8(17-18)11(12,13)14)9(19)15-16-10(20)7-3-2-4-21-7/h2-5H,1H3,(H,15,19)(H,16,20)
InChIKeyDTUAWDRDFVXTOH-UHFFFAOYSA-N
XLogP1.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 1488098) is 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide is Cn1cc(C(=O)NNC(=O)c2cccs2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is DTUAWDRDFVXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c1-18-5-6(8(17-18)11(12,13)14)9(19)15-16-10(20)7-3-2-4-21-7/h2-5H,1H3,(H,15,19)(H,16,20).
What are the key properties of 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 318.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 1488098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).