1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine

C15H16FN5O — CID 46981257

IUPAC1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nonc1CN(C)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FN5O/c1-11-15(19-22-18-11)10-20(2)8-12-7-17-21(9-12)14-5-3-13(16)4-6-14/h3-7,9H,8,10H2,1-2H3
InChIKeyDCBILKQYLGQOQB-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.33
Rot. Bonds5

About 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine

1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine (PubChem CID 46981257) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
PubChem CID46981257
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC Name1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nonc1CN(C)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FN5O/c1-11-15(19-22-18-11)10-20(2)8-12-7-17-21(9-12)14-5-3-13(16)4-6-14/h3-7,9H,8,10H2,1-2H3
InChIKeyDCBILKQYLGQOQB-UHFFFAOYSA-N
XLogP2.33
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine (CID 46981257) is 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine is Cc1nonc1CN(C)Cc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is DCBILKQYLGQOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-11-15(19-22-18-11)10-20(2)8-12-7-17-21(9-12)14-5-3-13(16)4-6-14/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine?
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 301.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 46981257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).