N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine

C13H17Cl2N3O2 — CID 106693372

IUPACN-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1c(Cl)cnn1CCOC
InChIInChI=1S/C13H17Cl2N3O2/c1-3-16-11(9-4-6-20-13(9)15)12-10(14)8-17-18(12)5-7-19-2/h4,6,8,11,16H,3,5,7H2,1-2H3
InChIKeyGSUOCRGPQQZYBN-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.13
Rot. Bonds7

About N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine

N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine (PubChem CID 106693372) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
PubChem CID106693372
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1c(Cl)cnn1CCOC
InChIInChI=1S/C13H17Cl2N3O2/c1-3-16-11(9-4-6-20-13(9)15)12-10(14)8-17-18(12)5-7-19-2/h4,6,8,11,16H,3,5,7H2,1-2H3
InChIKeyGSUOCRGPQQZYBN-UHFFFAOYSA-N
XLogP3.13
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-[(2-chlorofuran-3-yl)-(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106693083
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine
CID 114652418
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660712
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105190037
N-[(2-chlorofuran-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 106693238
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]propan-1-amine
CID 106693110
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N-ethylpropan-1-amine
CID 114652893
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106693217
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N,2-diethylhexan-1-amine
CID 105054530
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethylheptan-1-amine
CID 105054478
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105054587
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653915

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine (CID 106693372) is N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine is CCNC(c1ccoc1Cl)c1c(Cl)cnn1CCOC.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine?
The InChIKey is GSUOCRGPQQZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-3-16-11(9-4-6-20-13(9)15)12-10(14)8-17-18(12)5-7-19-2/h4,6,8,11,16H,3,5,7H2,1-2H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine has a molecular weight of 318.20 g/mol, XLogP of 3.13, 7 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)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106693372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).