(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C13H13N3O2 — CID 114744165

IUPAC(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESCn1ncc(C(=O)c2cccc3c2OCC3)c1N
InChIInChI=1S/C13H13N3O2/c1-16-13(14)10(7-15-16)11(17)9-4-2-3-8-5-6-18-12(8)9/h2-4,7H,5-6,14H2,1H3
InChIKeyQKYHWDMTXPTYNI-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.17
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 114744165) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID114744165
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESCn1ncc(C(=O)c2cccc3c2OCC3)c1N
InChIInChI=1S/C13H13N3O2/c1-16-13(14)10(7-15-16)11(17)9-4-2-3-8-5-6-18-12(8)9/h2-4,7H,5-6,14H2,1H3
InChIKeyQKYHWDMTXPTYNI-UHFFFAOYSA-N
XLogP1.17
TPSA70.14 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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
CID 65360377
(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone
CID 65360215
4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine
CID 117330819
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 65360475
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814281
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026432

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 114744165) is (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is Cn1ncc(C(=O)c2cccc3c2OCC3)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is QKYHWDMTXPTYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-13(14)10(7-15-16)11(17)9-4-2-3-8-5-6-18-12(8)9/h2-4,7H,5-6,14H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 243.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 114744165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).