N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

C15H18ClN3O — CID 114660019

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1C)C1Cc2ccccc2O1
InChIInChI=1S/C15H18ClN3O/c1-3-17-14(15-11(16)9-18-19(15)2)13-8-10-6-4-5-7-12(10)20-13/h4-7,9,13-14,17H,3,8H2,1-2H3
InChIKeySCKQFXUFFDDPCT-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.73
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 114660019) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID114660019
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1C)C1Cc2ccccc2O1
InChIInChI=1S/C15H18ClN3O/c1-3-17-14(15-11(16)9-18-19(15)2)13-8-10-6-4-5-7-12(10)20-13/h4-7,9,13-14,17H,3,8H2,1-2H3
InChIKeySCKQFXUFFDDPCT-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-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

[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262979
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 114655781
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 114645296
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 102764052
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485900
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 114660003
N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine
CID 43490812
N-[(4-chloro-1-methylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346233
1-(2,3-dihydro-1-benzofuran-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736733
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 114655760
N-[2,3-dihydro-1-benzofuran-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 43495091

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (CID 114660019) is N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is CCNC(c1c(Cl)cnn1C)C1Cc2ccccc2O1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is SCKQFXUFFDDPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-17-14(15-11(16)9-18-19(15)2)13-8-10-6-4-5-7-12(10)20-13/h4-7,9,13-14,17H,3,8H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 291.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114660019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).