2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol

C12H15FN4O — CID 117378752

IUPAC2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol
SMILESCN(C)Cc1cc(F)c(O)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C12H15FN4O/c1-17(2)6-7-3-8(11(18)10(13)4-7)9-5-15-16-12(9)14/h3-5,18H,6H2,1-2H3,(H3,14,15,16)
InChIKeyZHAXWIQMFLRCMC-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.57
Rot. Bonds3

About 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol

2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol (PubChem CID 117378752) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol
PubChem CID117378752
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol
SMILESCN(C)Cc1cc(F)c(O)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C12H15FN4O/c1-17(2)6-7-3-8(11(18)10(13)4-7)9-5-15-16-12(9)14/h3-5,18H,6H2,1-2H3,(H3,14,15,16)
InChIKeyZHAXWIQMFLRCMC-UHFFFAOYSA-N
XLogP1.57
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol (CID 117378752) is 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol is CN(C)Cc1cc(F)c(O)c(-c2cn[nH]c2N)c1.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol?
The InChIKey is ZHAXWIQMFLRCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-17(2)6-7-3-8(11(18)10(13)4-7)9-5-15-16-12(9)14/h3-5,18H,6H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol?
2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol has a molecular weight of 250.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol is sourced from PubChem (CID 117378752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).