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

C16H19N3O — CID 43777165

IUPAC3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1oc2ccccc2c1C
InChIInChI=1S/C16H19N3O/c1-9-13-7-5-6-8-14(13)20-16(9)12(4)17-15-10(2)18-19-11(15)3/h5-8,12,17H,1-4H3,(H,18,19)
InChIKeyOJJQKLGIJLSXDD-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.25
Rot. Bonds3

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

3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine (PubChem CID 43777165) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine
PubChem CID43777165
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1oc2ccccc2c1C
InChIInChI=1S/C16H19N3O/c1-9-13-7-5-6-8-14(13)20-16(9)12(4)17-15-10(2)18-19-11(15)3/h5-8,12,17H,1-4H3,(H,18,19)
InChIKeyOJJQKLGIJLSXDD-UHFFFAOYSA-N
XLogP4.25
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43762928
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine
CID 43547335
3-bromo-2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 107629648
3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43762035
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904419
1-(3-methyl-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54885120
4-chloro-2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43766524
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63981303

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine (CID 43777165) is 3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC(C)c1oc2ccccc2c1C.
What is the InChIKey of 3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine?
The InChIKey is OJJQKLGIJLSXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9-13-7-5-6-8-14(13)20-16(9)12(4)17-15-10(2)18-19-11(15)3/h5-8,12,17H,1-4H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine?
3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine has a molecular weight of 269.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43777165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).