4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole

C14H19F3N4 — CID 137437952

IUPAC4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole
SMILESCc1cn(C(C)C)nc1CC(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N4/c1-9(2)21-8-10(3)12(18-21)7-11(4)20-6-5-13(19-20)14(15,16)17/h5-6,8-9,11H,7H2,1-4H3
InChIKeyFOZHWDXNYCRJQM-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.79
Rot. Bonds4

About 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole

4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole (PubChem CID 137437952) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole
PubChem CID137437952
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole
SMILESCc1cn(C(C)C)nc1CC(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N4/c1-9(2)21-8-10(3)12(18-21)7-11(4)20-6-5-13(19-20)14(15,16)17/h5-6,8-9,11H,7H2,1-4H3
InChIKeyFOZHWDXNYCRJQM-UHFFFAOYSA-N
XLogP3.79
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole?
The IUPAC name of 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole (CID 137437952) is 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole.
What is the SMILES notation for 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole?
The canonical SMILES for 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole is Cc1cn(C(C)C)nc1CC(C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole?
The InChIKey is FOZHWDXNYCRJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-9(2)21-8-10(3)12(18-21)7-11(4)20-6-5-13(19-20)14(15,16)17/h5-6,8-9,11H,7H2,1-4H3.
What are the key properties of 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole?
4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole has a molecular weight of 300.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole is sourced from PubChem (CID 137437952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).