N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine

C18H21N3O — CID 126456890

IUPACN-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCCc1ccc(-c2[nH]ncc2CNCc2ccc(C)o2)cc1
InChIInChI=1S/C18H21N3O/c1-3-14-5-7-15(8-6-14)18-16(11-20-21-18)10-19-12-17-9-4-13(2)22-17/h4-9,11,19H,3,10,12H2,1-2H3,(H,20,21)
InChIKeyMMMMKPDQZAWZPQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.83
Rot. Bonds6

About N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine

N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 126456890) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID126456890
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCCc1ccc(-c2[nH]ncc2CNCc2ccc(C)o2)cc1
InChIInChI=1S/C18H21N3O/c1-3-14-5-7-15(8-6-14)18-16(11-20-21-18)10-19-12-17-9-4-13(2)22-17/h4-9,11,19H,3,10,12H2,1-2H3,(H,20,21)
InChIKeyMMMMKPDQZAWZPQ-UHFFFAOYSA-N
XLogP3.83
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 62524526
4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline
CID 112839432
N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79485257
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
5-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317797
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine
CID 4213258

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (CID 126456890) is N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is CCc1ccc(-c2[nH]ncc2CNCc2ccc(C)o2)cc1.
What is the InChIKey of N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is MMMMKPDQZAWZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-14-5-7-15(8-6-14)18-16(11-20-21-18)10-19-12-17-9-4-13(2)22-17/h4-9,11,19H,3,10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 295.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 126456890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).