N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine

C13H20FN5 — CID 122169172

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
SMILESCCn1cc(CNCc2cnn(CC)c2F)c(C)n1
InChIInChI=1S/C13H20FN5/c1-4-18-9-12(10(3)17-18)7-15-6-11-8-16-19(5-2)13(11)14/h8-9,15H,4-7H2,1-3H3
InChIKeySDUWVCLXGOQMGA-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.86
Rot. Bonds6

About N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine (PubChem CID 122169172) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
PubChem CID122169172
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
SMILESCCn1cc(CNCc2cnn(CC)c2F)c(C)n1
InChIInChI=1S/C13H20FN5/c1-4-18-9-12(10(3)17-18)7-15-6-11-8-16-19(5-2)13(11)14/h8-9,15H,4-7H2,1-3H3
InChIKeySDUWVCLXGOQMGA-UHFFFAOYSA-N
XLogP1.86
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine (CID 122169172) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine is CCn1cc(CNCc2cnn(CC)c2F)c(C)n1.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine?
The InChIKey is SDUWVCLXGOQMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-4-18-9-12(10(3)17-18)7-15-6-11-8-16-19(5-2)13(11)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine has a molecular weight of 265.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 122169172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).