N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine

C13H19N3O — CID 104805056

IUPACN-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2occc2C)cn1
InChIInChI=1S/C13H19N3O/c1-4-6-16-9-11(8-15-16)12(14-3)13-10(2)5-7-17-13/h5,7-9,12,14H,4,6H2,1-3H3
InChIKeyXTMXUIPRYJPUPQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine

N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 104805056) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID104805056
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2occc2C)cn1
InChIInChI=1S/C13H19N3O/c1-4-6-16-9-11(8-15-16)12(14-3)13-10(2)5-7-17-13/h5,7-9,12,14H,4,6H2,1-3H3
InChIKeyXTMXUIPRYJPUPQ-UHFFFAOYSA-N
XLogP2.50
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 115807050
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103609
1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807987
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527
1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808315
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 61319379
1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808111
1-(3,5-dibromophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107973896
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine
CID 104804839

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine (CID 104805056) is N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)c2occc2C)cn1.
What is the InChIKey of N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is XTMXUIPRYJPUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-6-16-9-11(8-15-16)12(14-3)13-10(2)5-7-17-13/h5,7-9,12,14H,4,6H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine?
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 104805056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).