4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol

C9H8FN3O — CID 117283395

IUPAC4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
SMILESNc1[nH]ncc1-c1ccc(O)cc1F
InChIInChI=1S/C9H8FN3O/c10-8-3-5(14)1-2-6(8)7-4-12-13-9(7)11/h1-4,14H,(H3,11,12,13)
InChIKeyRJBMIOLBPICQMN-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.50
Rot. Bonds1

About 4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol

4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol (PubChem CID 117283395) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
PubChem CID117283395
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
SMILESNc1[nH]ncc1-c1ccc(O)cc1F
InChIInChI=1S/C9H8FN3O/c10-8-3-5(14)1-2-6(8)7-4-12-13-9(7)11/h1-4,14H,(H3,11,12,13)
InChIKeyRJBMIOLBPICQMN-UHFFFAOYSA-N
XLogP1.50
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol
CID 117298182
4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117319576
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
CID 117432533
2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
CID 117348385
4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methoxyphenol
CID 117319151
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
CID 117359096
5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid
CID 117341582
4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117341693
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117311888

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol (CID 117283395) is 4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol is Nc1[nH]ncc1-c1ccc(O)cc1F.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol?
The InChIKey is RJBMIOLBPICQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-8-3-5(14)1-2-6(8)7-4-12-13-9(7)11/h1-4,14H,(H3,11,12,13).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol?
4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol has a molecular weight of 193.18 g/mol, XLogP of 1.50, 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)-3-fluorophenol is sourced from PubChem (CID 117283395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).