2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol

C16H23FN4O — CID 51105203

IUPAC2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
SMILESCc1nn(C)c(N(C)C)c1CNCC(O)c1ccccc1F
InChIInChI=1S/C16H23FN4O/c1-11-13(16(20(2)3)21(4)19-11)9-18-10-15(22)12-7-5-6-8-14(12)17/h5-8,15,18,22H,9-10H2,1-4H3
InChIKeyZFHJKOBCGLLMNO-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.76
Rot. Bonds6

About 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol

2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol (PubChem CID 51105203) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
PubChem CID51105203
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
SMILESCc1nn(C)c(N(C)C)c1CNCC(O)c1ccccc1F
InChIInChI=1S/C16H23FN4O/c1-11-13(16(20(2)3)21(4)19-11)9-18-10-15(22)12-7-5-6-8-14(12)17/h5-8,15,18,22H,9-10H2,1-4H3
InChIKeyZFHJKOBCGLLMNO-UHFFFAOYSA-N
XLogP1.76
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol (CID 51105203) is 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol is Cc1nn(C)c(N(C)C)c1CNCC(O)c1ccccc1F.
What is the InChIKey of 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol?
The InChIKey is ZFHJKOBCGLLMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-11-13(16(20(2)3)21(4)19-11)9-18-10-15(22)12-7-5-6-8-14(12)17/h5-8,15,18,22H,9-10H2,1-4H3.
What are the key properties of 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol?
2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol has a molecular weight of 306.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 51105203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).