2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

C15H18ClN3O — CID 105034972

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CC(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18ClN3O/c1-9-12(15(16)19(2)18-9)8-13(17)10-3-4-14-11(7-10)5-6-20-14/h3-4,7,13H,5-6,8,17H2,1-2H3
InChIKeyAZIOIHKLPPXBHK-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.56
Rot. Bonds3

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 105034972) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID105034972
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CC(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18ClN3O/c1-9-12(15(16)19(2)18-9)8-13(17)10-3-4-14-11(7-10)5-6-20-14/h3-4,7,13H,5-6,8,17H2,1-2H3
InChIKeyAZIOIHKLPPXBHK-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 105034993
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019746
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999613
1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 113470316
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105001631
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 105034972) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine is Cc1nn(C)c(Cl)c1CC(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is AZIOIHKLPPXBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-12(15(16)19(2)18-9)8-13(17)10-3-4-14-11(7-10)5-6-20-14/h3-4,7,13H,5-6,8,17H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 291.78 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 105034972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).