N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine

C12H23N3O — CID 79578579

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
SMILESCCCC(COC)NCc1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-6-12(9-16-4)13-7-11-8-14-15(3)10(11)2/h8,12-13H,5-7,9H2,1-4H3
InChIKeyQXLDONAJDHCOTC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.63
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine (PubChem CID 79578579) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
PubChem CID79578579
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
SMILESCCCC(COC)NCc1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-6-12(9-16-4)13-7-11-8-14-15(3)10(11)2/h8,12-13H,5-7,9H2,1-4H3
InChIKeyQXLDONAJDHCOTC-UHFFFAOYSA-N
XLogP1.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine (CID 79578579) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine is CCCC(COC)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine?
The InChIKey is QXLDONAJDHCOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-12(9-16-4)13-7-11-8-14-15(3)10(11)2/h8,12-13H,5-7,9H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine is sourced from PubChem (CID 79578579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).