[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol

C14H16F3N3O — CID 115911605

IUPAC[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C14H16F3N3O/c1-2-7-20-12(5-6-19-20)13(21)10-8-9(14(15,16)17)3-4-11(10)18/h3-6,8,13,21H,2,7,18H2,1H3
InChIKeyZLTVKOWCOBQVQI-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.98
Rot. Bonds4

About [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol

[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol (PubChem CID 115911605) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol
PubChem CID115911605
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C14H16F3N3O/c1-2-7-20-12(5-6-19-20)13(21)10-8-9(14(15,16)17)3-4-11(10)18/h3-6,8,13,21H,2,7,18H2,1H3
InChIKeyZLTVKOWCOBQVQI-UHFFFAOYSA-N
XLogP2.98
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol (CID 115911605) is [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol?
The InChIKey is ZLTVKOWCOBQVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-2-7-20-12(5-6-19-20)13(21)10-8-9(14(15,16)17)3-4-11(10)18/h3-6,8,13,21H,2,7,18H2,1H3.
What are the key properties of [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol?
[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol has a molecular weight of 299.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 115911605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).