1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide

C14H13F3N4O2 — CID 1488097

IUPAC1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N4O2/c1-8-3-5-9(6-4-8)12(22)18-19-13(23)10-7-21(2)20-11(10)14(15,16)17/h3-7H,1-2H3,(H,18,22)(H,19,23)
InChIKeyRDWBGWVDUURDQP-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.82
Rot. Bonds2

About 1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide

1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 1488097) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID1488097
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N4O2/c1-8-3-5-9(6-4-8)12(22)18-19-13(23)10-7-21(2)20-11(10)14(15,16)17/h3-7H,1-2H3,(H,18,22)(H,19,23)
InChIKeyRDWBGWVDUURDQP-UHFFFAOYSA-N
XLogP1.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 1488097) is 1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is RDWBGWVDUURDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-8-3-5-9(6-4-8)12(22)18-19-13(23)10-7-21(2)20-11(10)14(15,16)17/h3-7H,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 326.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 1488097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).