(1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C8H12F3N3O — CID 96886695

IUPAC(1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCn1cc([C@H](O)CCN)c(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-14-4-5(6(15)2-3-12)7(13-14)8(9,10)11/h4,6,15H,2-3,12H2,1H3/t6-/m1/s1
InChIKeyYUFVZYNDEJVHMC-ZCFIWIBFSA-N
MW223.20 g/mol
LogP0.82
Rot. Bonds3

About (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

(1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 96886695) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID96886695
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name(1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCn1cc([C@H](O)CCN)c(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-14-4-5(6(15)2-3-12)7(13-14)8(9,10)11/h4,6,15H,2-3,12H2,1H3/t6-/m1/s1
InChIKeyYUFVZYNDEJVHMC-ZCFIWIBFSA-N
XLogP0.82
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 96886695) is (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is Cn1cc([C@H](O)CCN)c(C(F)(F)F)n1.
What is the InChIKey of (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is YUFVZYNDEJVHMC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14-4-5(6(15)2-3-12)7(13-14)8(9,10)11/h4,6,15H,2-3,12H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
(1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 223.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 96886695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).