3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol

C10H10FN3O2 — CID 117319138

IUPAC3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol
SMILESCOc1c(-c2cn[nH]c2N)ccc(F)c1O
InChIInChI=1S/C10H10FN3O2/c1-16-9-5(2-3-7(11)8(9)15)6-4-13-14-10(6)12/h2-4,15H,1H3,(H3,12,13,14)
InChIKeyYWBXQVKEJJHUKX-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.51
Rot. Bonds2

About 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol

3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol (PubChem CID 117319138) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol
PubChem CID117319138
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol
SMILESCOc1c(-c2cn[nH]c2N)ccc(F)c1O
InChIInChI=1S/C10H10FN3O2/c1-16-9-5(2-3-7(11)8(9)15)6-4-13-14-10(6)12/h2-4,15H,1H3,(H3,12,13,14)
InChIKeyYWBXQVKEJJHUKX-UHFFFAOYSA-N
XLogP1.51
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol?
The IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol (CID 117319138) is 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol.
What is the SMILES notation for 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol?
The canonical SMILES for 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol is COc1c(-c2cn[nH]c2N)ccc(F)c1O.
What is the InChIKey of 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol?
The InChIKey is YWBXQVKEJJHUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-16-9-5(2-3-7(11)8(9)15)6-4-13-14-10(6)12/h2-4,15H,1H3,(H3,12,13,14).
What are the key properties of 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol?
3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol has a molecular weight of 223.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1H-pyrazol-4-yl)-6-fluoro-2-methoxyphenol is sourced from PubChem (CID 117319138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).