1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine

C20H26FN5 — CID 74234497

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCCn1cc(CN(C)Cc2cc(F)ccc2-n2nc(C)cc2C)c(C)n1
InChIInChI=1S/C20H26FN5/c1-6-25-13-18(16(4)23-25)12-24(5)11-17-10-19(21)7-8-20(17)26-15(3)9-14(2)22-26/h7-10,13H,6,11-12H2,1-5H3
InChIKeyFUPPQBKGRQJHJA-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.79
Rot. Bonds6

About 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine

1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 74234497) has the molecular formula C20H26FN5 and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine
PubChem CID74234497
Molecular FormulaC20H26FN5
Molecular Weight355.46 g/mol
Exact Mass355.22
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCCn1cc(CN(C)Cc2cc(F)ccc2-n2nc(C)cc2C)c(C)n1
InChIInChI=1S/C20H26FN5/c1-6-25-13-18(16(4)23-25)12-24(5)11-17-10-19(21)7-8-20(17)26-15(3)9-14(2)22-26/h7-10,13H,6,11-12H2,1-5H3
InChIKeyFUPPQBKGRQJHJA-UHFFFAOYSA-N
XLogP3.79
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine (CID 74234497) is 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine is CCn1cc(CN(C)Cc2cc(F)ccc2-n2nc(C)cc2C)c(C)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is FUPPQBKGRQJHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5/c1-6-25-13-18(16(4)23-25)12-24(5)11-17-10-19(21)7-8-20(17)26-15(3)9-14(2)22-26/h7-10,13H,6,11-12H2,1-5H3.
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine?
1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine has a molecular weight of 355.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 74234497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).