2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol

C11H14N4O — CID 117311058

IUPAC2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol
SMILESCN(C)c1ccc(O)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C11H14N4O/c1-15(2)7-3-4-10(16)8(5-7)9-6-13-14-11(9)12/h3-6,16H,1-2H3,(H3,12,13,14)
InChIKeyBWLIRTSQFYKWMS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.43
Rot. Bonds2

About 2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol

2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol (PubChem CID 117311058) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol
PubChem CID117311058
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol
SMILESCN(C)c1ccc(O)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C11H14N4O/c1-15(2)7-3-4-10(16)8(5-7)9-6-13-14-11(9)12/h3-6,16H,1-2H3,(H3,12,13,14)
InChIKeyBWLIRTSQFYKWMS-UHFFFAOYSA-N
XLogP1.43
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.43
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)phenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol (CID 117311058) is 2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol is CN(C)c1ccc(O)c(-c2cn[nH]c2N)c1.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol?
The InChIKey is BWLIRTSQFYKWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(2)7-3-4-10(16)8(5-7)9-6-13-14-11(9)12/h3-6,16H,1-2H3,(H3,12,13,14).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol?
2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol has a molecular weight of 218.26 g/mol, XLogP of 1.43, 2 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)phenol is sourced from PubChem (CID 117311058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).