4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine

C12H23N3O — CID 103024991

IUPAC4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
SMILESCNC(Cc1cnn(C)c1)CC(C)(C)OC
InChIInChI=1S/C12H23N3O/c1-12(2,16-5)7-11(13-3)6-10-8-14-15(4)9-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyIBLOFKXAPLYIJM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds6

About 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine

4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine (PubChem CID 103024991) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
PubChem CID103024991
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
SMILESCNC(Cc1cnn(C)c1)CC(C)(C)OC
InChIInChI=1S/C12H23N3O/c1-12(2,16-5)7-11(13-3)6-10-8-14-15(4)9-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyIBLOFKXAPLYIJM-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The IUPAC name of 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine (CID 103024991) is 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The canonical SMILES for 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine is CNC(Cc1cnn(C)c1)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
The InChIKey is IBLOFKXAPLYIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,16-5)7-11(13-3)6-10-8-14-15(4)9-10/h8-9,11,13H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine?
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine is sourced from PubChem (CID 103024991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).