N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C14H19FN4 — CID 43211958

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(Cc1cccc(F)c1)C(CN)c1cnn(C)c1
InChIInChI=1S/C14H19FN4/c1-18(9-11-4-3-5-13(15)6-11)14(7-16)12-8-17-19(2)10-12/h3-6,8,10,14H,7,9,16H2,1-2H3
InChIKeyVIAUOCBWWVLADF-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.69
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 43211958) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID43211958
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(Cc1cccc(F)c1)C(CN)c1cnn(C)c1
InChIInChI=1S/C14H19FN4/c1-18(9-11-4-3-5-13(15)6-11)14(7-16)12-8-17-19(2)10-12/h3-6,8,10,14H,7,9,16H2,1-2H3
InChIKeyVIAUOCBWWVLADF-UHFFFAOYSA-N
XLogP1.69
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 43211958) is N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CN(Cc1cccc(F)c1)C(CN)c1cnn(C)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is VIAUOCBWWVLADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-18(9-11-4-3-5-13(15)6-11)14(7-16)12-8-17-19(2)10-12/h3-6,8,10,14H,7,9,16H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 262.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43211958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).