N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine

C15H23N3O — CID 46991462

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine
SMILESCCn1cc(CN(Cc2ccoc2)CC(C)C)cn1
InChIInChI=1S/C15H23N3O/c1-4-18-11-15(7-16-18)10-17(8-13(2)3)9-14-5-6-19-12-14/h5-7,11-13H,4,8-10H2,1-3H3
InChIKeyJFABXUJGSGMBQQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine

N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine (PubChem CID 46991462) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine
PubChem CID46991462
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine
SMILESCCn1cc(CN(Cc2ccoc2)CC(C)C)cn1
InChIInChI=1S/C15H23N3O/c1-4-18-11-15(7-16-18)10-17(8-13(2)3)9-14-5-6-19-12-14/h5-7,11-13H,4,8-10H2,1-3H3
InChIKeyJFABXUJGSGMBQQ-UHFFFAOYSA-N
XLogP3.15
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine 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

1,4-diethylpyrazole;ethane
CID 143641951
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide
CID 91762094
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77096435
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
CID 55211862
N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 91771803
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134710337
N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-N-(2-methylpropyl)-1H-imidazole-2-carboxamide
CID 91792565
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 22204132
4-(3-chloro-2-methyl-3-phenylpropyl)-1-ethylpyrazole
CID 113460170
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine (CID 46991462) is N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine is CCn1cc(CN(Cc2ccoc2)CC(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is JFABXUJGSGMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-18-11-15(7-16-18)10-17(8-13(2)3)9-14-5-6-19-12-14/h5-7,11-13H,4,8-10H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 46991462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).