1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine

C12H23N3O — CID 102804528

IUPAC1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine
SMILESCNC(c1cn(C)nc1C)C(C)CCOC
InChIInChI=1S/C12H23N3O/c1-9(6-7-16-5)12(13-3)11-8-15(4)14-10(11)2/h8-9,12-13H,6-7H2,1-5H3
InChIKeyLCCLFIGRCNIBIZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.66
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine

1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 102804528) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine
PubChem CID102804528
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine
SMILESCNC(c1cn(C)nc1C)C(C)CCOC
InChIInChI=1S/C12H23N3O/c1-9(6-7-16-5)12(13-3)11-8-15(4)14-10(11)2/h8-9,12-13H,6-7H2,1-5H3
InChIKeyLCCLFIGRCNIBIZ-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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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine
CID 102804208
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893691
1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 102812867
1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044504
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
4-(1-bromopropan-2-yl)-1,3-dimethylpyrazole
CID 66470862
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
1-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 83683542
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044561
N-ethyl-4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977608

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine (CID 102804528) is 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine is CNC(c1cn(C)nc1C)C(C)CCOC.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is LCCLFIGRCNIBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(6-7-16-5)12(13-3)11-8-15(4)14-10(11)2/h8-9,12-13H,6-7H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine?
1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-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 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 102804528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).