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

C15H23N3O — CID 55072792

IUPACN-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(Cn2nc(C)cc2C)cc1C
InChIInChI=1S/C15H23N3O/c1-5-6-16-9-15-11(2)7-14(19-15)10-18-13(4)8-12(3)17-18/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeySHNJFIGKZRSTET-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.95
Rot. Bonds6

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

N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 55072792) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID55072792
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(Cn2nc(C)cc2C)cc1C
InChIInChI=1S/C15H23N3O/c1-5-6-16-9-15-11(2)7-14(19-15)10-18-13(4)8-12(3)17-18/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeySHNJFIGKZRSTET-UHFFFAOYSA-N
XLogP2.95
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 82699299
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62440418
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62448149
N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62448827
N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62418971
N-[[5-[(4-bromopyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62443302
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62448437
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43620933
N-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 114597009
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62448147
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (CID 55072792) is N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1oc(Cn2nc(C)cc2C)cc1C.
What is the InChIKey of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is SHNJFIGKZRSTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-6-16-9-15-11(2)7-14(19-15)10-18-13(4)8-12(3)17-18/h7-8,16H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55072792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).