N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine

C12H17N3O — CID 115876966

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(CNc2cc(C)n(C)n2)c(C)o1
InChIInChI=1S/C12H17N3O/c1-8-5-12(14-15(8)4)13-7-11-6-9(2)16-10(11)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyOZOAEKNBCHMCDL-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.55
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine

N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 115876966) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
PubChem CID115876966
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(CNc2cc(C)n(C)n2)c(C)o1
InChIInChI=1S/C12H17N3O/c1-8-5-12(14-15(8)4)13-7-11-6-9(2)16-10(11)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyOZOAEKNBCHMCDL-UHFFFAOYSA-N
XLogP2.55
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751708
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
CID 19627587
2-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-4-methylphenol
CID 113290187
1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167521
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113349771
N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924732
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122166863
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122167953
N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 114253659
1,5-dimethyl-N-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine
CID 130961358
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751678

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine (CID 115876966) is N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine is Cc1cc(CNc2cc(C)n(C)n2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is OZOAEKNBCHMCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-5-12(14-15(8)4)13-7-11-6-9(2)16-10(11)3/h5-6H,7H2,1-4H3,(H,13,14).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine?
N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine has a molecular weight of 219.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 115876966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).