2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C14H21ClN4O — CID 114652413

IUPAC2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1ccoc1)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H21ClN4O/c1-4-16-13(11-5-8-20-10-11)14-12(15)9-17-19(14)7-6-18(2)3/h5,8-10,13,16H,4,6-7H2,1-3H3
InChIKeyVHORXEYVPXTYOK-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.39
Rot. Bonds7

About 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114652413) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114652413
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1ccoc1)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H21ClN4O/c1-4-16-13(11-5-8-20-10-11)14-12(15)9-17-19(14)7-6-18(2)3/h5,8-10,13,16H,4,6-7H2,1-3H3
InChIKeyVHORXEYVPXTYOK-UHFFFAOYSA-N
XLogP2.39
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine 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

N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine
CID 114652418
2-[4-chloro-5-[(2-chlorofuran-3-yl)-(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106693083
2-[4-chloro-5-[ethylamino-(1-methylpyrazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114654433
2-[4-chloro-5-[ethylamino(pyridin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114647189
2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105038996
2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114659302
2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105193337
2-[4-chloro-5-[methylamino-(5-methylfuran-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105038992
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657422
N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
CID 105184021
2-[4-chloro-5-[(2-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105211079
2-[4-chloro-5-[methylamino-(6-methyl-3-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105182397

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114652413) is 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CCNC(c1ccoc1)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is VHORXEYVPXTYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-4-16-13(11-5-8-20-10-11)14-12(15)9-17-19(14)7-6-18(2)3/h5,8-10,13,16H,4,6-7H2,1-3H3.
What are the key properties of 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 296.80 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114652413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).