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

C10H10FN3O — CID 117295535

IUPAC4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol
SMILESCc1cc(-c2cn[nH]c2N)c(F)cc1O
InChIInChI=1S/C10H10FN3O/c1-5-2-6(8(11)3-9(5)15)7-4-13-14-10(7)12/h2-4,15H,1H3,(H3,12,13,14)
InChIKeyBAZPHZPBLBPINW-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.81
Rot. Bonds1

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

4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol (PubChem CID 117295535) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol
PubChem CID117295535
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol
SMILESCc1cc(-c2cn[nH]c2N)c(F)cc1O
InChIInChI=1S/C10H10FN3O/c1-5-2-6(8(11)3-9(5)15)7-4-13-14-10(7)12/h2-4,15H,1H3,(H3,12,13,14)
InChIKeyBAZPHZPBLBPINW-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 4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol (CID 117295535) is 4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol is Cc1cc(-c2cn[nH]c2N)c(F)cc1O.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol?
The InChIKey is BAZPHZPBLBPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-5-2-6(8(11)3-9(5)15)7-4-13-14-10(7)12/h2-4,15H,1H3,(H3,12,13,14).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol?
4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-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 4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methylphenol is sourced from PubChem (CID 117295535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).