5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole

C9H9F3N4 — CID 165170525

IUPAC5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1cc(-c2cnc[nH]2)n(CC(F)(F)F)n1
InChIInChI=1S/C9H9F3N4/c1-6-2-8(7-3-13-5-14-7)16(15-6)4-9(10,11)12/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyDQHOGFXKLFUNQF-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.14
Rot. Bonds2

About 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole

5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 165170525) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID165170525
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1cc(-c2cnc[nH]2)n(CC(F)(F)F)n1
InChIInChI=1S/C9H9F3N4/c1-6-2-8(7-3-13-5-14-7)16(15-6)4-9(10,11)12/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyDQHOGFXKLFUNQF-UHFFFAOYSA-N
XLogP2.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 165170525) is 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole is Cc1cc(-c2cnc[nH]2)n(CC(F)(F)F)n1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is DQHOGFXKLFUNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-6-2-8(7-3-13-5-14-7)16(15-6)4-9(10,11)12/h2-3,5H,4H2,1H3,(H,13,14).
What are the key properties of 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 230.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 165170525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).