1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C10H16F3N3O — CID 4284201

IUPAC1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(C)NCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-7(2)14-5-8(17)6-16-4-3-9(15-16)10(11,12)13/h3-4,7-8,14,17H,5-6H2,1-2H3
InChIKeyIVECQLUFRFJWNQ-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.26
Rot. Bonds5

About 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 4284201) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID4284201
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(C)NCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O/c1-7(2)14-5-8(17)6-16-4-3-9(15-16)10(11,12)13/h3-4,7-8,14,17H,5-6H2,1-2H3
InChIKeyIVECQLUFRFJWNQ-UHFFFAOYSA-N
XLogP1.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 4284201) is 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is CC(C)NCC(O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is IVECQLUFRFJWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-7(2)14-5-8(17)6-16-4-3-9(15-16)10(11,12)13/h3-4,7-8,14,17H,5-6H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 251.25 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 1-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 4284201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).