2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

C12H18F3N3O — CID 64809832

IUPAC2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCCNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C12H18F3N3O/c1-2-16-11(8-19,9-3-4-9)7-18-6-10(5-17-18)12(13,14)15/h5-6,9,16,19H,2-4,7-8H2,1H3
InChIKeyXCZVSTCJIAYBMH-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.65
Rot. Bonds6

About 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 64809832) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID64809832
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCCNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C12H18F3N3O/c1-2-16-11(8-19,9-3-4-9)7-18-6-10(5-17-18)12(13,14)15/h5-6,9,16,19H,2-4,7-8H2,1H3
InChIKeyXCZVSTCJIAYBMH-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 64809832) is 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is CCNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is XCZVSTCJIAYBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-16-11(8-19,9-3-4-9)7-18-6-10(5-17-18)12(13,14)15/h5-6,9,16,19H,2-4,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 64809832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).