N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine

C18H20FN3O2 — CID 46983379

IUPACN-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine
SMILESCOCCN(Cc1ccc(-c2ccn[nH]2)o1)Cc1ccccc1F
InChIInChI=1S/C18H20FN3O2/c1-23-11-10-22(12-14-4-2-3-5-16(14)19)13-15-6-7-18(24-15)17-8-9-20-21-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyYUMYGVAVSOMTQQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.46
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine

N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine (PubChem CID 46983379) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine
PubChem CID46983379
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine
SMILESCOCCN(Cc1ccc(-c2ccn[nH]2)o1)Cc1ccccc1F
InChIInChI=1S/C18H20FN3O2/c1-23-11-10-22(12-14-4-2-3-5-16(14)19)13-15-6-7-18(24-15)17-8-9-20-21-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyYUMYGVAVSOMTQQ-UHFFFAOYSA-N
XLogP3.46
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methylfuran-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6146666
3-benzo[b]furan-2-yl-1H-pyrazole
CID 2805300
3-(2-furyl)-4H-pyrazol-4-one N-(3-methylphenyl)hydrazone
CID 3301257
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
1-{[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}-3-(methoxymethyl)piperidine
CID 16188202
2-{4-{[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-[(5-methyl-2-furyl)methyl]piperazin-2-yl}ethanol
CID 16190243
1-[({[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}amino)methyl]cyclohexanol
CID 16192043
3-(1-benzofuran-2-yl)-4-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-1H-pyrazole
CID 16192185
[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]furan-2-yl]-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone
CID 124042451
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 1554015
5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6862097

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine (CID 46983379) is N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine is COCCN(Cc1ccc(-c2ccn[nH]2)o1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine?
The InChIKey is YUMYGVAVSOMTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-23-11-10-22(12-14-4-2-3-5-16(14)19)13-15-6-7-18(24-15)17-8-9-20-21-17/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine?
N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine has a molecular weight of 329.38 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methoxy-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 46983379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).