N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine

C15H24N4O — CID 61422603

IUPACN-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)Cc1ccoc1
InChIInChI=1S/C15H24N4O/c1-5-7-16-9-14-12(2)17-19(4)15(14)18(3)10-13-6-8-20-11-13/h6,8,11,16H,5,7,9-10H2,1-4H3
InChIKeyROIFLLQGXFWBAC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.46
Rot. Bonds7

About N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine

N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine (PubChem CID 61422603) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
PubChem CID61422603
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)Cc1ccoc1
InChIInChI=1S/C15H24N4O/c1-5-7-16-9-14-12(2)17-19(4)15(14)18(3)10-13-6-8-20-11-13/h6,8,11,16H,5,7,9-10H2,1-4H3
InChIKeyROIFLLQGXFWBAC-UHFFFAOYSA-N
XLogP2.46
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 61422601
N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280698
2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide
CID 43375197
N-(furan-3-ylmethyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 55059703
N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43281943
N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416689
4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 62207198
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 61422704
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine
CID 61422691
N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine
CID 61437594
N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280836

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The IUPAC name of N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine (CID 61422603) is N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine is CCCNCc1c(C)nn(C)c1N(C)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The InChIKey is ROIFLLQGXFWBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-7-16-9-14-12(2)17-19(4)15(14)18(3)10-13-6-8-20-11-13/h6,8,11,16H,5,7,9-10H2,1-4H3.
What are the key properties of N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine has a molecular weight of 276.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine is sourced from PubChem (CID 61422603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).