7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline

C14H11F3N4 — CID 123856145

IUPAC7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline
SMILESCCc1ccc2cnc(-c3cc(C(F)(F)F)[nH]n3)nc2c1
InChIInChI=1S/C14H11F3N4/c1-2-8-3-4-9-7-18-13(19-10(9)5-8)11-6-12(21-20-11)14(15,16)17/h3-7H,2H2,1H3,(H,20,21)
InChIKeyISGGLLZGRIMTED-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.60
Rot. Bonds2

About 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline

7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline (PubChem CID 123856145) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline.

Molecular Properties

Compound Name7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline
PubChem CID123856145
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline
SMILESCCc1ccc2cnc(-c3cc(C(F)(F)F)[nH]n3)nc2c1
InChIInChI=1S/C14H11F3N4/c1-2-8-3-4-9-7-18-13(19-10(9)5-8)11-6-12(21-20-11)14(15,16)17/h3-7H,2H2,1H3,(H,20,21)
InChIKeyISGGLLZGRIMTED-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline?
The IUPAC name of 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline (CID 123856145) is 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline.
What is the SMILES notation for 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline?
The canonical SMILES for 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline is CCc1ccc2cnc(-c3cc(C(F)(F)F)[nH]n3)nc2c1.
What is the InChIKey of 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline?
The InChIKey is ISGGLLZGRIMTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-2-8-3-4-9-7-18-13(19-10(9)5-8)11-6-12(21-20-11)14(15,16)17/h3-7H,2H2,1H3,(H,20,21).
What are the key properties of 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline?
7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline has a molecular weight of 292.26 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]quinazoline is sourced from PubChem (CID 123856145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).