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

C11H16F3N3O — CID 64811509

IUPAC2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C11H16F3N3O/c1-15-10(7-18,8-2-3-8)6-17-5-9(4-16-17)11(12,13)14/h4-5,8,15,18H,2-3,6-7H2,1H3
InChIKeyKUNKULYFBIZIEP-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.26
Rot. Bonds5

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

2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 64811509) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID64811509
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C11H16F3N3O/c1-15-10(7-18,8-2-3-8)6-17-5-9(4-16-17)11(12,13)14/h4-5,8,15,18H,2-3,6-7H2,1H3
InChIKeyKUNKULYFBIZIEP-UHFFFAOYSA-N
XLogP1.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 64811509) is 2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is CNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is KUNKULYFBIZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-15-10(7-18,8-2-3-8)6-17-5-9(4-16-17)11(12,13)14/h4-5,8,15,18H,2-3,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 64811509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).