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

C10H14F3N3O — CID 64811714

IUPAC2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-3-15-16(4-8)5-9(14,6-17)7-1-2-7/h3-4,7,17H,1-2,5-6,14H2
InChIKeyMMCOMVFYXRYGSP-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.00
Rot. Bonds4

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

2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 64811714) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID64811714
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-3-15-16(4-8)5-9(14,6-17)7-1-2-7/h3-4,7,17H,1-2,5-6,14H2
InChIKeyMMCOMVFYXRYGSP-UHFFFAOYSA-N
XLogP1.00
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 64811714) is 2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is NC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is MMCOMVFYXRYGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)8-3-15-16(4-8)5-9(14,6-17)7-1-2-7/h3-4,7,17H,1-2,5-6,14H2.
What are the key properties of 2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 249.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 64811714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).