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

C16H24N4O — CID 51104710

IUPAC2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol
SMILESCc1nn(C)c(N(C)C)c1CNCC(O)c1ccccc1
InChIInChI=1S/C16H24N4O/c1-12-14(16(19(2)3)20(4)18-12)10-17-11-15(21)13-8-6-5-7-9-13/h5-9,15,17,21H,10-11H2,1-4H3
InChIKeyTXCPWSFRUQWPHX-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.62
Rot. Bonds6

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

2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol (PubChem CID 51104710) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol
PubChem CID51104710
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol
SMILESCc1nn(C)c(N(C)C)c1CNCC(O)c1ccccc1
InChIInChI=1S/C16H24N4O/c1-12-14(16(19(2)3)20(4)18-12)10-17-11-15(21)13-8-6-5-7-9-13/h5-9,15,17,21H,10-11H2,1-4H3
InChIKeyTXCPWSFRUQWPHX-UHFFFAOYSA-N
XLogP1.62
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.62
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-phenylethanol?
The IUPAC name of 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol (CID 51104710) is 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol?
The canonical SMILES for 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol is Cc1nn(C)c(N(C)C)c1CNCC(O)c1ccccc1.
What is the InChIKey of 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol?
The InChIKey is TXCPWSFRUQWPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-14(16(19(2)3)20(4)18-12)10-17-11-15(21)13-8-6-5-7-9-13/h5-9,15,17,21H,10-11H2,1-4H3.
What are the key properties of 2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol?
2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol has a molecular weight of 288.39 g/mol, XLogP of 1.62, 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-phenylethanol is sourced from PubChem (CID 51104710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).