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

C10H8F3N3O — CID 117359093

IUPAC4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol
SMILESNc1[nH]ncc1-c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-3-5(1-2-8(7)17)6-4-15-16-9(6)14/h1-4,17H,(H3,14,15,16)
InChIKeyJJFNLECOBVTCOM-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.38
Rot. Bonds1

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

4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol (PubChem CID 117359093) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol
PubChem CID117359093
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol
SMILESNc1[nH]ncc1-c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-3-5(1-2-8(7)17)6-4-15-16-9(6)14/h1-4,17H,(H3,14,15,16)
InChIKeyJJFNLECOBVTCOM-UHFFFAOYSA-N
XLogP2.38
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
CID 117359096
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117435222
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117395726
4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine
CID 117346326
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
CID 117432533
4-[3-(3-amino-1H-indazol-6-yl)-1,2,4-oxadiazol-5-yl]-2-(trifluoromethyl)phenol
CID 143554680
2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol
CID 117311058
4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117288402
4-(1,2-benzoxazol-5-yl)-1H-pyrazol-5-amine
CID 117289185

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol (CID 117359093) is 4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol is Nc1[nH]ncc1-c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol?
The InChIKey is JJFNLECOBVTCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-3-5(1-2-8(7)17)6-4-15-16-9(6)14/h1-4,17H,(H3,14,15,16).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol?
4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol has a molecular weight of 243.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 117359093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).