1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine

C13H18N4O — CID 175275821

IUPAC1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCOc1cn(-c2ncccc2CN(C)C)nc1C
InChIInChI=1S/C13H18N4O/c1-10-12(18-4)9-17(15-10)13-11(8-16(2)3)6-5-7-14-13/h5-7,9H,8H2,1-4H3
InChIKeyQZZHIWXCOFMNPD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.65
Rot. Bonds4

About 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine

1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 175275821) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID175275821
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCOc1cn(-c2ncccc2CN(C)C)nc1C
InChIInChI=1S/C13H18N4O/c1-10-12(18-4)9-17(15-10)13-11(8-16(2)3)6-5-7-14-13/h5-7,9H,8H2,1-4H3
InChIKeyQZZHIWXCOFMNPD-UHFFFAOYSA-N
XLogP1.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine (CID 175275821) is 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine is COc1cn(-c2ncccc2CN(C)C)nc1C.
What is the InChIKey of 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is QZZHIWXCOFMNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-12(18-4)9-17(15-10)13-11(8-16(2)3)6-5-7-14-13/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 246.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 175275821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).