4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine

C13H13N3O2 — CID 117359619

IUPAC4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)cc2cc(C)oc12
InChIInChI=1S/C13H13N3O2/c1-7-3-9-4-8(10-6-15-16-13(10)14)5-11(17-2)12(9)18-7/h3-6H,1-2H3,(H3,14,15,16)
InChIKeyZWEVQYNHZHXQPS-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.72
Rot. Bonds2

About 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine

4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine (PubChem CID 117359619) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine
PubChem CID117359619
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)cc2cc(C)oc12
InChIInChI=1S/C13H13N3O2/c1-7-3-9-4-8(10-6-15-16-13(10)14)5-11(17-2)12(9)18-7/h3-6H,1-2H3,(H3,14,15,16)
InChIKeyZWEVQYNHZHXQPS-UHFFFAOYSA-N
XLogP2.72
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
CID 117304034
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117416880
4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117338159
5-chloro-7-methoxy-2-methyl-1-benzofuran
CID 135380056
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
CID 117348168
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117444360

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine (CID 117359619) is 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine is COc1cc(-c2cn[nH]c2N)cc2cc(C)oc12.
What is the InChIKey of 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine?
The InChIKey is ZWEVQYNHZHXQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-7-3-9-4-8(10-6-15-16-13(10)14)5-11(17-2)12(9)18-7/h3-6H,1-2H3,(H3,14,15,16).
What are the key properties of 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine?
4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine has a molecular weight of 243.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117359619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).