1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone

C14H13N3O2 — CID 110463862

IUPAC1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone
SMILESCc1cc(N)n(C(=O)Cc2coc3ccccc23)n1
InChIInChI=1S/C14H13N3O2/c1-9-6-13(15)17(16-9)14(18)7-10-8-19-12-5-3-2-4-11(10)12/h2-6,8H,7,15H2,1H3
InChIKeyVWDCZTPSPXQOIZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.40
Rot. Bonds2

About 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone

1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone (PubChem CID 110463862) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone
PubChem CID110463862
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone
SMILESCc1cc(N)n(C(=O)Cc2coc3ccccc23)n1
InChIInChI=1S/C14H13N3O2/c1-9-6-13(15)17(16-9)14(18)7-10-8-19-12-5-3-2-4-11(10)12/h2-6,8H,7,15H2,1H3
InChIKeyVWDCZTPSPXQOIZ-UHFFFAOYSA-N
XLogP2.40
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 110854089
2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 83618012
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
1-(1-benzofuran-3-ylmethyl)-4-bromo-3-methylpyrazol-5-amine
CID 80701765
S-ethyl 2-(1-benzofuran-3-yl)ethanethioate
CID 91620594
4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110850236
acetyl 2-(1-benzofuran-3-yl)acetate
CID 175154988
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110463883
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 110466008
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
(5-amino-3-methylpyrazol-1-yl)-(1H-indazol-3-yl)methanone
CID 110468603

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone (CID 110463862) is 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone is Cc1cc(N)n(C(=O)Cc2coc3ccccc23)n1.
What is the InChIKey of 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone?
The InChIKey is VWDCZTPSPXQOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-6-13(15)17(16-9)14(18)7-10-8-19-12-5-3-2-4-11(10)12/h2-6,8H,7,15H2,1H3.
What are the key properties of 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone?
1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone has a molecular weight of 255.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 110463862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).