1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole

C9H9F3N4 — CID 165170518

IUPAC1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1-c1cnc[nH]1
InChIInChI=1S/C9H9F3N4/c1-2-16-7(6-4-13-5-14-6)3-8(15-16)9(10,11)12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyPZIMKQXQFGMDHH-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.31
Rot. Bonds2

About 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole

1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 165170518) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole
PubChem CID165170518
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1-c1cnc[nH]1
InChIInChI=1S/C9H9F3N4/c1-2-16-7(6-4-13-5-14-6)3-8(15-16)9(10,11)12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyPZIMKQXQFGMDHH-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole (CID 165170518) is 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)cc1-c1cnc[nH]1.
What is the InChIKey of 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is PZIMKQXQFGMDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-2-16-7(6-4-13-5-14-6)3-8(15-16)9(10,11)12/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole?
1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 230.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 165170518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).