1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine

C19H23N3O2 — CID 56897462

IUPAC1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
SMILESCOc1cccc(-n2cc(CN(C)Cc3cc(C)c(C)o3)cn2)c1
InChIInChI=1S/C19H23N3O2/c1-14-8-19(24-15(14)2)13-21(3)11-16-10-20-22(12-16)17-6-5-7-18(9-17)23-4/h5-10,12H,11,13H2,1-4H3
InChIKeyQVACFANDDHMIQE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.72
Rot. Bonds6

About 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine

1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 56897462) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
PubChem CID56897462
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
SMILESCOc1cccc(-n2cc(CN(C)Cc3cc(C)c(C)o3)cn2)c1
InChIInChI=1S/C19H23N3O2/c1-14-8-19(24-15(14)2)13-21(3)11-16-10-20-22(12-16)17-6-5-7-18(9-17)23-4/h5-10,12H,11,13H2,1-4H3
InChIKeyQVACFANDDHMIQE-UHFFFAOYSA-N
XLogP3.72
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
CID 56883576
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60589279
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 56721816
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol
CID 72861471
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 124757474
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 18135903
(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
CID 9321888
methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 31859236
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine (CID 56897462) is 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine is COc1cccc(-n2cc(CN(C)Cc3cc(C)c(C)o3)cn2)c1.
What is the InChIKey of 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is QVACFANDDHMIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-8-19(24-15(14)2)13-21(3)11-16-10-20-22(12-16)17-6-5-7-18(9-17)23-4/h5-10,12H,11,13H2,1-4H3.
What are the key properties of 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 325.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 56897462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).