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

C12H9F6N3O — CID 164662725

IUPAC2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1-c1ccccc1
InChIInChI=1S/C12H9F6N3O/c13-11(14,15)10(22,12(16,17)18)8-6-20-21(9(8)19)7-4-2-1-3-5-7/h1-6,22H,19H2
InChIKeyJVZULBVJCDMOPS-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.77
Rot. Bonds2

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

2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 164662725) has the molecular formula C12H9F6N3O and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID164662725
Molecular FormulaC12H9F6N3O
Molecular Weight325.21 g/mol
Exact Mass325.06
IUPAC Name2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1-c1ccccc1
InChIInChI=1S/C12H9F6N3O/c13-11(14,15)10(22,12(16,17)18)8-6-20-21(9(8)19)7-4-2-1-3-5-7/h1-6,22H,19H2
InChIKeyJVZULBVJCDMOPS-UHFFFAOYSA-N
XLogP2.77
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine
CID 115047522
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate
CID 70483568
1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 18352095
(5-amino-1-phenylpyrazol-4-yl) azetidine-1-carboxylate
CID 176916828
2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 4287677
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88773612
5-amino-N-[2-[(benzylamino)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide;ethane
CID 91273770
1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
CID 15112560
(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol
CID 2393055
2-[2,3-diamino-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59552294

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 164662725) is 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1-c1ccccc1.
What is the InChIKey of 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is JVZULBVJCDMOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6N3O/c13-11(14,15)10(22,12(16,17)18)8-6-20-21(9(8)19)7-4-2-1-3-5-7/h1-6,22H,19H2.
What are the key properties of 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 325.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 164662725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).