2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol

C18H27FN4O — CID 51105204

IUPAC2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCC(O)c1ccccc1F
InChIInChI=1S/C18H27FN4O/c1-12(2)17-14(18(22(3)4)23(5)21-17)10-20-11-16(24)13-8-6-7-9-15(13)19/h6-9,12,16,20,24H,10-11H2,1-5H3
InChIKeyZHGXEOBRMPSMJY-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.57
Rot. Bonds7

About 2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol

2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol (PubChem CID 51105204) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
PubChem CID51105204
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCC(O)c1ccccc1F
InChIInChI=1S/C18H27FN4O/c1-12(2)17-14(18(22(3)4)23(5)21-17)10-20-11-16(24)13-8-6-7-9-15(13)19/h6-9,12,16,20,24H,10-11H2,1-5H3
InChIKeyZHGXEOBRMPSMJY-UHFFFAOYSA-N
XLogP2.57
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.57
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-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol (CID 51105204) is 2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol is CC(C)c1nn(C)c(N(C)C)c1CNCC(O)c1ccccc1F.
What is the InChIKey of 2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol?
The InChIKey is ZHGXEOBRMPSMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-12(2)17-14(18(22(3)4)23(5)21-17)10-20-11-16(24)13-8-6-7-9-15(13)19/h6-9,12,16,20,24H,10-11H2,1-5H3.
What are the key properties of 2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol?
2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol has a molecular weight of 334.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 51105204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).