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

C12H19N5O — CID 51105022

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1c(CNCc2ccnn2C)c(C)nn1C
InChIInChI=1S/C12H19N5O/c1-9-11(12(18-4)17(3)15-9)8-13-7-10-5-6-14-16(10)2/h5-6,13H,7-8H2,1-4H3
InChIKeyFVDOEVHXKCBPOE-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.76
Rot. Bonds5

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

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 51105022) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID51105022
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1c(CNCc2ccnn2C)c(C)nn1C
InChIInChI=1S/C12H19N5O/c1-9-11(12(18-4)17(3)15-9)8-13-7-10-5-6-14-16(10)2/h5-6,13H,7-8H2,1-4H3
InChIKeyFVDOEVHXKCBPOE-UHFFFAOYSA-N
XLogP0.76
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 51105022) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is COc1c(CNCc2ccnn2C)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is FVDOEVHXKCBPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9-11(12(18-4)17(3)15-9)8-13-7-10-5-6-14-16(10)2/h5-6,13H,7-8H2,1-4H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 249.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 51105022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).