1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine

C20H26FN5 — CID 45195742

IUPAC1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(CNC(C)c2cnn(-c3cccc(F)c3)c2C)c(C)n1
InChIInChI=1S/C20H26FN5/c1-5-9-25-13-17(14(2)24-25)11-22-15(3)20-12-23-26(16(20)4)19-8-6-7-18(21)10-19/h6-8,10,12-13,15,22H,5,9,11H2,1-4H3
InChIKeyNBUKVUOHDOCPQO-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.09
Rot. Bonds7

About 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine

1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine (PubChem CID 45195742) has the molecular formula C20H26FN5 and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
PubChem CID45195742
Molecular FormulaC20H26FN5
Molecular Weight355.46 g/mol
Exact Mass355.22
IUPAC Name1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(CNC(C)c2cnn(-c3cccc(F)c3)c2C)c(C)n1
InChIInChI=1S/C20H26FN5/c1-5-9-25-13-17(14(2)24-25)11-22-15(3)20-12-23-26(16(20)4)19-8-6-7-18(21)10-19/h6-8,10,12-13,15,22H,5,9,11H2,1-4H3
InChIKeyNBUKVUOHDOCPQO-UHFFFAOYSA-N
XLogP4.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine (CID 45195742) is 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine is CCCn1cc(CNC(C)c2cnn(-c3cccc(F)c3)c2C)c(C)n1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is NBUKVUOHDOCPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5/c1-5-9-25-13-17(14(2)24-25)11-22-15(3)20-12-23-26(16(20)4)19-8-6-7-18(21)10-19/h6-8,10,12-13,15,22H,5,9,11H2,1-4H3.
What are the key properties of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 355.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 45195742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).