1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole

C14H21F3N2O2 — CID 138574704

IUPAC1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCC(C)(C)OCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N2O2/c1-12(2,3)21-10-19-8-4-11(18-19)20-9-7-13(5-6-13)14(15,16)17/h4,8H,5-7,9-10H2,1-3H3
InChIKeyKEHYCCYSRFQUDX-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.77
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole

1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (PubChem CID 138574704) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
PubChem CID138574704
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole
SMILESCC(C)(C)OCn1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N2O2/c1-12(2,3)21-10-19-8-4-11(18-19)20-9-7-13(5-6-13)14(15,16)17/h4,8H,5-7,9-10H2,1-3H3
InChIKeyKEHYCCYSRFQUDX-UHFFFAOYSA-N
XLogP3.77
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole (CID 138574704) is 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is CC(C)(C)OCn1ccc(OCCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
The InChIKey is KEHYCCYSRFQUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-12(2,3)21-10-19-8-4-11(18-19)20-9-7-13(5-6-13)14(15,16)17/h4,8H,5-7,9-10H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole?
1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole has a molecular weight of 306.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole is sourced from PubChem (CID 138574704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).