N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine

C18H21N5O — CID 126841363

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCn1cc(-c2nn(C)cc2NCCc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C18H21N5O/c1-22-11-15(10-20-22)18-16(12-23(2)21-18)19-7-5-13-3-4-17-14(9-13)6-8-24-17/h3-4,9-12,19H,5-8H2,1-2H3
InChIKeyPYSKQRRZNDYBJU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 126841363) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
PubChem CID126841363
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCn1cc(-c2nn(C)cc2NCCc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C18H21N5O/c1-22-11-15(10-20-22)18-16(12-23(2)21-18)19-7-5-13-3-4-17-14(9-13)6-8-24-17/h3-4,9-12,19H,5-8H2,1-2H3
InChIKeyPYSKQRRZNDYBJU-UHFFFAOYSA-N
XLogP2.41
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 65446524
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971253
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-propan-2-ylaniline
CID 65430651
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 75423791
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 65431040
2,3-dichloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 65431408
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,4-trifluoroaniline
CID 65430652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline
CID 65431418
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline
CID 65431409
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 65446546
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine (CID 126841363) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine is Cn1cc(-c2nn(C)cc2NCCc2ccc3c(c2)CCO3)cn1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is PYSKQRRZNDYBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-11-15(10-20-22)18-16(12-23(2)21-18)19-7-5-13-3-4-17-14(9-13)6-8-24-17/h3-4,9-12,19H,5-8H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 126841363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).