5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole

C9H10F3N5 — CID 137025281

IUPAC5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1n[nH]c(C)c1-c1nc(C(F)(F)F)nn1C
InChIInChI=1S/C9H10F3N5/c1-4-6(5(2)15-14-4)7-13-8(9(10,11)12)16-17(7)3/h1-3H3,(H,14,15)
InChIKeyZPTRSNFDMIJCKD-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.84
Rot. Bonds1

About 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole

5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 137025281) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID137025281
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1n[nH]c(C)c1-c1nc(C(F)(F)F)nn1C
InChIInChI=1S/C9H10F3N5/c1-4-6(5(2)15-14-4)7-13-8(9(10,11)12)16-17(7)3/h1-3H3,(H,14,15)
InChIKeyZPTRSNFDMIJCKD-UHFFFAOYSA-N
XLogP1.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole (CID 137025281) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole is Cc1n[nH]c(C)c1-c1nc(C(F)(F)F)nn1C.
What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is ZPTRSNFDMIJCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-4-6(5(2)15-14-4)7-13-8(9(10,11)12)16-17(7)3/h1-3H3,(H,14,15).
What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 245.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 137025281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).