N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine

C15H21N3O — CID 104694294

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCC1CC1c1ccc(CNCCc2ccnn2C)o1
InChIInChI=1S/C15H21N3O/c1-11-9-14(11)15-4-3-13(19-15)10-16-7-5-12-6-8-17-18(12)2/h3-4,6,8,11,14,16H,5,7,9-10H2,1-2H3
InChIKeyRHCOQACBSOAKOV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.47
Rot. Bonds6

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 104694294) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID104694294
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCC1CC1c1ccc(CNCCc2ccnn2C)o1
InChIInChI=1S/C15H21N3O/c1-11-9-14(11)15-4-3-13(19-15)10-16-7-5-12-6-8-17-18(12)2/h3-4,6,8,11,14,16H,5,7,9-10H2,1-2H3
InChIKeyRHCOQACBSOAKOV-UHFFFAOYSA-N
XLogP2.47
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpyrazol-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 104694267
4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine
CID 60744499
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119126789
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61284670
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine
CID 43204438
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
N-[(1-methylcyclobutyl)methyl]-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 103735997

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine (CID 104694294) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine is CC1CC1c1ccc(CNCCc2ccnn2C)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is RHCOQACBSOAKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-9-14(11)15-4-3-13(19-15)10-16-7-5-12-6-8-17-18(12)2/h3-4,6,8,11,14,16H,5,7,9-10H2,1-2H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104694294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).