2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H11F6N3O — CID 2322999

IUPAC2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1nn(-c2ccccc2)c(N)c1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F6N3O/c1-7-9(11(23,12(14,15)16)13(17,18)19)10(20)22(21-7)8-5-3-2-4-6-8/h2-6,23H,20H2,1H3
InChIKeySNYQIMPYPANTIK-UHFFFAOYSA-N
MW339.24 g/mol
LogP3.08
Rot. Bonds2

About 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 2322999) has the molecular formula C13H11F6N3O and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID2322999
Molecular FormulaC13H11F6N3O
Molecular Weight339.24 g/mol
Exact Mass339.08
IUPAC Name2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1nn(-c2ccccc2)c(N)c1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F6N3O/c1-7-9(11(23,12(14,15)16)13(17,18)19)10(20)22(21-7)8-5-3-2-4-6-8/h2-6,23H,20H2,1H3
InChIKeySNYQIMPYPANTIK-UHFFFAOYSA-N
XLogP3.08
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 2322999) is 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1nn(-c2ccccc2)c(N)c1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is SNYQIMPYPANTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N3O/c1-7-9(11(23,12(14,15)16)13(17,18)19)10(20)22(21-7)8-5-3-2-4-6-8/h2-6,23H,20H2,1H3.
What are the key properties of 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 339.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 2322999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).