2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol

C9H14F3N3O — CID 64808840

IUPAC2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
SMILESCC(N)(CO)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-8(13,6-16)3-5-15-4-2-7(14-15)9(10,11)12/h2,4,16H,3,5-6,13H2,1H3
InChIKeyKKZDFPNPLFSGHF-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol

2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol (PubChem CID 64808840) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
PubChem CID64808840
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
SMILESCC(N)(CO)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-8(13,6-16)3-5-15-4-2-7(14-15)9(10,11)12/h2,4,16H,3,5-6,13H2,1H3
InChIKeyKKZDFPNPLFSGHF-UHFFFAOYSA-N
XLogP1.00
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
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-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol (CID 64808840) is 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol is CC(N)(CO)CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol?
The InChIKey is KKZDFPNPLFSGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-8(13,6-16)3-5-15-4-2-7(14-15)9(10,11)12/h2,4,16H,3,5-6,13H2,1H3.
What are the key properties of 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol?
2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol has a molecular weight of 237.22 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-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-ol is sourced from PubChem (CID 64808840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).