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

C16H18FN5O — CID 31192641

IUPAC1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CN(C)Cc2cn(C)nc2-c2ccccc2F)o1
InChIInChI=1S/C16H18FN5O/c1-11-18-19-15(23-11)10-21(2)8-12-9-22(3)20-16(12)13-6-4-5-7-14(13)17/h4-7,9H,8,10H2,1-3H3
InChIKeyUNVANGHVQLDQHE-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.55
Rot. Bonds5

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

1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 31192641) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID31192641
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CN(C)Cc2cn(C)nc2-c2ccccc2F)o1
InChIInChI=1S/C16H18FN5O/c1-11-18-19-15(23-11)10-21(2)8-12-9-22(3)20-16(12)13-6-4-5-7-14(13)17/h4-7,9H,8,10H2,1-3H3
InChIKeyUNVANGHVQLDQHE-UHFFFAOYSA-N
XLogP2.55
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 31192641) is 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is Cc1nnc(CN(C)Cc2cn(C)nc2-c2ccccc2F)o1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is UNVANGHVQLDQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-11-18-19-15(23-11)10-21(2)8-12-9-22(3)20-16(12)13-6-4-5-7-14(13)17/h4-7,9H,8,10H2,1-3H3.
What are the key properties of 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 315.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 31192641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).