1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine

C19H29FN4O — CID 51104672

IUPAC1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1c(CNCC(c2cccc(F)c2)N(C)C)c(C(C)C)nn1C
InChIInChI=1S/C19H29FN4O/c1-13(2)18-16(19(25-6)24(5)22-18)11-21-12-17(23(3)4)14-8-7-9-15(20)10-14/h7-10,13,17,21H,11-12H2,1-6H3
InChIKeyLKGBSSDFFCUODY-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.08
Rot. Bonds8

About 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine

1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 51104672) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID51104672
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1c(CNCC(c2cccc(F)c2)N(C)C)c(C(C)C)nn1C
InChIInChI=1S/C19H29FN4O/c1-13(2)18-16(19(25-6)24(5)22-18)11-21-12-17(23(3)4)14-8-7-9-15(20)10-14/h7-10,13,17,21H,11-12H2,1-6H3
InChIKeyLKGBSSDFFCUODY-UHFFFAOYSA-N
XLogP3.08
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine (CID 51104672) is 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine is COc1c(CNCC(c2cccc(F)c2)N(C)C)c(C(C)C)nn1C.
What is the InChIKey of 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is LKGBSSDFFCUODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-13(2)18-16(19(25-6)24(5)22-18)11-21-12-17(23(3)4)14-8-7-9-15(20)10-14/h7-10,13,17,21H,11-12H2,1-6H3.
What are the key properties of 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine?
1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 348.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N'-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 51104672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).