1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

C7H13N3O — CID 83864165

IUPAC1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNCc1cc(OC)nn1C
InChIInChI=1S/C7H13N3O/c1-8-5-6-4-7(11-3)9-10(6)2/h4,8H,5H2,1-3H3
InChIKeyMQHKBCSILLTBMM-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.15
Rot. Bonds3

About 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 83864165) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID83864165
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNCc1cc(OC)nn1C
InChIInChI=1S/C7H13N3O/c1-8-5-6-4-7(11-3)9-10(6)2/h4,8H,5H2,1-3H3
InChIKeyMQHKBCSILLTBMM-UHFFFAOYSA-N
XLogP0.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 83864165) is 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is CNCc1cc(OC)nn1C.
What is the InChIKey of 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is MQHKBCSILLTBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-8-5-6-4-7(11-3)9-10(6)2/h4,8H,5H2,1-3H3.
What are the key properties of 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 155.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 83864165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).