(2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol

C14H21F3N2O3 — CID 134398859

IUPAC(2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol
SMILESCC(C)(C)OC(O)n1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N2O3/c1-12(2,3)22-11(20)19-8-4-10(18-19)21-9-7-13(5-6-13)14(15,16)17/h4,8,11,20H,5-7,9H2,1-3H3
InChIKeyCSNCBHZPEFZAQD-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.26
Rot. Bonds6

About (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol

(2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol (PubChem CID 134398859) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol
PubChem CID134398859
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name(2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol
SMILESCC(C)(C)OC(O)n1ccc(OCCC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N2O3/c1-12(2,3)22-11(20)19-8-4-10(18-19)21-9-7-13(5-6-13)14(15,16)17/h4,8,11,20H,5-7,9H2,1-3H3
InChIKeyCSNCBHZPEFZAQD-UHFFFAOYSA-N
XLogP3.26
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol?
The IUPAC name of (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol (CID 134398859) is (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol?
The canonical SMILES for (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol is CC(C)(C)OC(O)n1ccc(OCCC2(C(F)(F)F)CC2)n1.
What is the InChIKey of (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol?
The InChIKey is CSNCBHZPEFZAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c1-12(2,3)22-11(20)19-8-4-10(18-19)21-9-7-13(5-6-13)14(15,16)17/h4,8,11,20H,5-7,9H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol?
(2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol has a molecular weight of 322.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]methanol is sourced from PubChem (CID 134398859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).