2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol

C11H10F3N3O2 — CID 117435222

IUPAC2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol
SMILESCOc1ccc(C(F)(F)F)c(-c2cn[nH]c2N)c1O
InChIInChI=1S/C11H10F3N3O2/c1-19-7-3-2-6(11(12,13)14)8(9(7)18)5-4-16-17-10(5)15/h2-4,18H,1H3,(H3,15,16,17)
InChIKeyXNFMOEXFAXZWPR-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.39
Rot. Bonds2

About 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol

2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol (PubChem CID 117435222) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol
PubChem CID117435222
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol
SMILESCOc1ccc(C(F)(F)F)c(-c2cn[nH]c2N)c1O
InChIInChI=1S/C11H10F3N3O2/c1-19-7-3-2-6(11(12,13)14)8(9(7)18)5-4-16-17-10(5)15/h2-4,18H,1H3,(H3,15,16,17)
InChIKeyXNFMOEXFAXZWPR-UHFFFAOYSA-N
XLogP2.39
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol 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

4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 737152
4-(3,4,5-Trimethoxyphenyl)-1H-pyrazol-3-amine
CID 970677
2-methoxy-4-[4-(1H-pyrazol-4-yl)phenyl]phenol
CID 121504470
4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 66598149
5-[4-[(2,3-difluorophenyl)methyl]-1H-pyrazol-5-yl]-2-methoxyphenol
CID 69555715
2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol
CID 70441484
4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine
CID 5200270
4-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 49878495
4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 61393208
(5-amino-1H-pyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 65361888
(5-amino-1H-pyrazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 65361890
1-(5-amino-1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 65362159

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol (CID 117435222) is 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol is COc1ccc(C(F)(F)F)c(-c2cn[nH]c2N)c1O.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol?
The InChIKey is XNFMOEXFAXZWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-19-7-3-2-6(11(12,13)14)8(9(7)18)5-4-16-17-10(5)15/h2-4,18H,1H3,(H3,15,16,17).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol?
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol has a molecular weight of 273.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117435222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).