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

C10H10FN3O — CID 117295546

IUPAC2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C10H10FN3O/c1-5-2-6(9(15)8(11)3-5)7-4-13-14-10(7)12/h2-4,15H,1H3,(H3,12,13,14)
InChIKeyCNWKTYYQRDCPGS-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.81
Rot. Bonds1

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

2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol (PubChem CID 117295546) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol
PubChem CID117295546
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C10H10FN3O/c1-5-2-6(9(15)8(11)3-5)7-4-13-14-10(7)12/h2-4,15H,1H3,(H3,12,13,14)
InChIKeyCNWKTYYQRDCPGS-UHFFFAOYSA-N
XLogP1.81
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol (CID 117295546) is 2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol is Cc1cc(F)c(O)c(-c2cn[nH]c2N)c1.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol?
The InChIKey is CNWKTYYQRDCPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-5-2-6(9(15)8(11)3-5)7-4-13-14-10(7)12/h2-4,15H,1H3,(H3,12,13,14).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol?
2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol has a molecular weight of 207.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-6-fluoro-4-methylphenol is sourced from PubChem (CID 117295546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).