N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine

C13H18ClN3O2 — CID 106693238

IUPACN-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1c(OC)cnn1CC
InChIInChI=1S/C13H18ClN3O2/c1-4-15-11(9-6-7-19-13(9)14)12-10(18-3)8-16-17(12)5-2/h6-8,11,15H,4-5H2,1-3H3
InChIKeyFHHCFTUWAGSKMP-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.86
Rot. Bonds6

About N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine

N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine (PubChem CID 106693238) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
PubChem CID106693238
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1c(OC)cnn1CC
InChIInChI=1S/C13H18ClN3O2/c1-4-15-11(9-6-7-19-13(9)14)12-10(18-3)8-16-17(12)5-2/h6-8,11,15H,4-5H2,1-3H3
InChIKeyFHHCFTUWAGSKMP-UHFFFAOYSA-N
XLogP2.86
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660721
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 105047825
N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 106693372
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]propan-1-amine
CID 106693110
N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114646936
1-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047783
2-[4-chloro-5-[(2-chlorofuran-3-yl)-(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106693083
N-[(5-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114652680
N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 105048041
N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine
CID 105186702
[(2,3-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339380

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine (CID 106693238) is N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine is CCNC(c1ccoc1Cl)c1c(OC)cnn1CC.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The InChIKey is FHHCFTUWAGSKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-4-15-11(9-6-7-19-13(9)14)12-10(18-3)8-16-17(12)5-2/h6-8,11,15H,4-5H2,1-3H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine has a molecular weight of 283.76 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 106693238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).