1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole

C10H8F6N4 — CID 90725865

IUPAC1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole
SMILESCn1nc(C(F)(F)F)cc1Cc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C10H8F6N4/c1-20-5(2-6(19-20)9(11,12)13)3-8-17-4-7(18-8)10(14,15)16/h2,4H,3H2,1H3,(H,17,18)
InChIKeyBBBDKDXXWRYVON-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.77
Rot. Bonds2

About 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole

1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole (PubChem CID 90725865) has the molecular formula C10H8F6N4 and a molecular weight of 298.19 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole
PubChem CID90725865
Molecular FormulaC10H8F6N4
Molecular Weight298.19 g/mol
Exact Mass298.07
IUPAC Name1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole
SMILESCn1nc(C(F)(F)F)cc1Cc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C10H8F6N4/c1-20-5(2-6(19-20)9(11,12)13)3-8-17-4-7(18-8)10(14,15)16/h2,4H,3H2,1H3,(H,17,18)
InChIKeyBBBDKDXXWRYVON-UHFFFAOYSA-N
XLogP2.77
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole (CID 90725865) is 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole is Cn1nc(C(F)(F)F)cc1Cc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole?
The InChIKey is BBBDKDXXWRYVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N4/c1-20-5(2-6(19-20)9(11,12)13)3-8-17-4-7(18-8)10(14,15)16/h2,4H,3H2,1H3,(H,17,18).
What are the key properties of 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole?
1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole has a molecular weight of 298.19 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrazole is sourced from PubChem (CID 90725865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).