1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole

C10H11F3N4 — CID 102456257

IUPAC1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole
SMILESCC(C)n1ccnc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H11F3N4/c1-6(2)17-4-3-14-9(17)7-5-8(16-15-7)10(11,12)13/h3-6H,1-2H3,(H,15,16)
InChIKeyDUQZXMHJKBIFPD-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.87
Rot. Bonds2

About 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole

1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole (PubChem CID 102456257) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole.

Molecular Properties

Compound Name1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole
PubChem CID102456257
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole
SMILESCC(C)n1ccnc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H11F3N4/c1-6(2)17-4-3-14-9(17)7-5-8(16-15-7)10(11,12)13/h3-6H,1-2H3,(H,15,16)
InChIKeyDUQZXMHJKBIFPD-UHFFFAOYSA-N
XLogP2.87
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole?
The IUPAC name of 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole (CID 102456257) is 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole.
What is the SMILES notation for 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole?
The canonical SMILES for 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole is CC(C)n1ccnc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole?
The InChIKey is DUQZXMHJKBIFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-6(2)17-4-3-14-9(17)7-5-8(16-15-7)10(11,12)13/h3-6H,1-2H3,(H,15,16).
What are the key properties of 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole?
1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole has a molecular weight of 244.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]imidazole is sourced from PubChem (CID 102456257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).