3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine

C21H28N6O — CID 170505889

IUPAC3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine
SMILESCOc1ccc(CN(C)CCCn2cccn2)cc1-c1nccnc1N(C)C
InChIInChI=1S/C21H28N6O/c1-25(2)21-20(22-10-11-23-21)18-15-17(7-8-19(18)28-4)16-26(3)12-6-14-27-13-5-9-24-27/h5,7-11,13,15H,6,12,14,16H2,1-4H3
InChIKeyDKIGCVQGNNZUMF-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.94
Rot. Bonds9

About 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine

3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine (PubChem CID 170505889) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine
PubChem CID170505889
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine
SMILESCOc1ccc(CN(C)CCCn2cccn2)cc1-c1nccnc1N(C)C
InChIInChI=1S/C21H28N6O/c1-25(2)21-20(22-10-11-23-21)18-15-17(7-8-19(18)28-4)16-26(3)12-6-14-27-13-5-9-24-27/h5,7-11,13,15H,6,12,14,16H2,1-4H3
InChIKeyDKIGCVQGNNZUMF-UHFFFAOYSA-N
XLogP2.94
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine?
The IUPAC name of 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine (CID 170505889) is 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine?
The canonical SMILES for 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine is COc1ccc(CN(C)CCCn2cccn2)cc1-c1nccnc1N(C)C.
What is the InChIKey of 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine?
The InChIKey is DKIGCVQGNNZUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-25(2)21-20(22-10-11-23-21)18-15-17(7-8-19(18)28-4)16-26(3)12-6-14-27-13-5-9-24-27/h5,7-11,13,15H,6,12,14,16H2,1-4H3.
What are the key properties of 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine?
3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine has a molecular weight of 380.50 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-[[methyl(3-pyrazol-1-ylpropyl)amino]methyl]phenyl]-N,N-dimethylpyrazin-2-amine is sourced from PubChem (CID 170505889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).