4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine

C13H13N3O2 — CID 117359622

IUPAC4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)cc2ccoc12
InChIInChI=1S/C13H13N3O2/c1-16-13(14)10(7-15-16)9-5-8-3-4-18-12(8)11(6-9)17-2/h3-7H,14H2,1-2H3
InChIKeyJGVPWLXVMJPGRP-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.42
Rot. Bonds2

About 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine

4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine (PubChem CID 117359622) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine
PubChem CID117359622
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)cc2ccoc12
InChIInChI=1S/C13H13N3O2/c1-16-13(14)10(7-15-16)9-5-8-3-4-18-12(8)11(6-9)17-2/h3-7H,14H2,1-2H3
InChIKeyJGVPWLXVMJPGRP-UHFFFAOYSA-N
XLogP2.42
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444289
4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117412665
5-(5-amino-1-methylpyrazol-4-yl)-2,3-dimethoxybenzonitrile
CID 117399239
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117435948
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117315496
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
CID 117338196
4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine
CID 117305388
5-chloro-7-methoxy-1-benzofuran
CID 123860132
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine (CID 117359622) is 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine is COc1cc(-c2cnn(C)c2N)cc2ccoc12.
What is the InChIKey of 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine?
The InChIKey is JGVPWLXVMJPGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-13(14)10(7-15-16)9-5-8-3-4-18-12(8)11(6-9)17-2/h3-7H,14H2,1-2H3.
What are the key properties of 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine?
4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine has a molecular weight of 243.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117359622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).