1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine

C20H25N3O2 — CID 51104814

IUPAC1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
SMILESCOc1c(CNC(c2ccccc2)c2ccco2)c(C(C)C)nn1C
InChIInChI=1S/C20H25N3O2/c1-14(2)18-16(20(24-4)23(3)22-18)13-21-19(17-11-8-12-25-17)15-9-6-5-7-10-15/h5-12,14,19,21H,13H2,1-4H3
InChIKeyZKXMJQWRLSCZDQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.02
Rot. Bonds7

About 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine

1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine (PubChem CID 51104814) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
PubChem CID51104814
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
SMILESCOc1c(CNC(c2ccccc2)c2ccco2)c(C(C)C)nn1C
InChIInChI=1S/C20H25N3O2/c1-14(2)18-16(20(24-4)23(3)22-18)13-21-19(17-11-8-12-25-17)15-9-6-5-7-10-15/h5-12,14,19,21H,13H2,1-4H3
InChIKeyZKXMJQWRLSCZDQ-UHFFFAOYSA-N
XLogP4.02
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine with MolForge

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Related Compounds

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 51104816
(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860866
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 95145236
(1R)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 94821999
(1S)-1-(3-fluorophenyl)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethanol
CID 95149147
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine
CID 51104784
(3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 94822014
5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802731
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine
CID 60810139
1-(furan-2-yl)-1-phenyl-N-(thiophen-3-ylmethyl)methanamine
CID 60669470
(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 94825583

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine (CID 51104814) is 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine is COc1c(CNC(c2ccccc2)c2ccco2)c(C(C)C)nn1C.
What is the InChIKey of 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is ZKXMJQWRLSCZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)18-16(20(24-4)23(3)22-18)13-21-19(17-11-8-12-25-17)15-9-6-5-7-10-15/h5-12,14,19,21H,13H2,1-4H3.
What are the key properties of 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine?
1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 339.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 51104814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).