N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine

C12H23N3O — CID 115970779

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNC(C)c1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-9(8-16-5)6-13-10(2)12-7-14-15(4)11(12)3/h7,9-10,13H,6,8H2,1-5H3
InChIKeyKGUIVYSQXOTSFD-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.66
Rot. Bonds6

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine (PubChem CID 115970779) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine
PubChem CID115970779
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNC(C)c1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-9(8-16-5)6-13-10(2)12-7-14-15(4)11(12)3/h7,9-10,13H,6,8H2,1-5H3
InChIKeyKGUIVYSQXOTSFD-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine (CID 115970779) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine is COCC(C)CNC(C)c1cnn(C)c1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine?
The InChIKey is KGUIVYSQXOTSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(8-16-5)6-13-10(2)12-7-14-15(4)11(12)3/h7,9-10,13H,6,8H2,1-5H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115970779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).