3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol

C7H9ClF3N3O — CID 83919554

IUPAC3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCn1ncc(Cl)c1C(O)(CN)C(F)(F)F
InChIInChI=1S/C7H9ClF3N3O/c1-14-5(4(8)2-13-14)6(15,3-12)7(9,10)11/h2,15H,3,12H2,1H3
InChIKeyVZKJWXUNOZUQFC-UHFFFAOYSA-N
MW243.62 g/mol
LogP0.78
Rot. Bonds2

About 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83919554) has the molecular formula C7H9ClF3N3O and a molecular weight of 243.62 g/mol. Its IUPAC name is 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID83919554
Molecular FormulaC7H9ClF3N3O
Molecular Weight243.62 g/mol
Exact Mass243.04
IUPAC Name3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCn1ncc(Cl)c1C(O)(CN)C(F)(F)F
InChIInChI=1S/C7H9ClF3N3O/c1-14-5(4(8)2-13-14)6(15,3-12)7(9,10)11/h2,15H,3,12H2,1H3
InChIKeyVZKJWXUNOZUQFC-UHFFFAOYSA-N
XLogP0.78
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol (CID 83919554) is 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol is Cn1ncc(Cl)c1C(O)(CN)C(F)(F)F.
What is the InChIKey of 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is VZKJWXUNOZUQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3N3O/c1-14-5(4(8)2-13-14)6(15,3-12)7(9,10)11/h2,15H,3,12H2,1H3.
What are the key properties of 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 243.62 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83919554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).