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

C13H18ClN3O2 — CID 114652418

IUPACN-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1c(Cl)cnn1CCOC
InChIInChI=1S/C13H18ClN3O2/c1-3-15-12(10-4-6-19-9-10)13-11(14)8-16-17(13)5-7-18-2/h4,6,8-9,12,15H,3,5,7H2,1-2H3
InChIKeyUPLCWSLERNWDCO-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.47
Rot. Bonds7

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

N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine (PubChem CID 114652418) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine
PubChem CID114652418
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1c(Cl)cnn1CCOC
InChIInChI=1S/C13H18ClN3O2/c1-3-15-12(10-4-6-19-9-10)13-11(14)8-16-17(13)5-7-18-2/h4,6,8-9,12,15H,3,5,7H2,1-2H3
InChIKeyUPLCWSLERNWDCO-UHFFFAOYSA-N
XLogP2.47
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652413
N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 106693372
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105190037
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N-ethylpropan-1-amine
CID 114652893
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]hydrazine
CID 105221413
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine
CID 114647235
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N,2-diethylhexan-1-amine
CID 105054530
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylfuran-3-yl)methyl]hydrazine
CID 105342375
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 105190055
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethylheptan-1-amine
CID 105054478
N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
CID 105184021
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-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine?
The IUPAC name of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine (CID 114652418) is N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine is CCNC(c1ccoc1)c1c(Cl)cnn1CCOC.
What is the InChIKey of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine?
The InChIKey is UPLCWSLERNWDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-15-12(10-4-6-19-9-10)13-11(14)8-16-17(13)5-7-18-2/h4,6,8-9,12,15H,3,5,7H2,1-2H3.
What are the key properties of N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine?
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine has a molecular weight of 283.76 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine is sourced from PubChem (CID 114652418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).