2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide

C14H16N4O2 — CID 91780001

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
SMILESCc1cc(N)n(CC(=O)NC2COc3ccccc32)n1
InChIInChI=1S/C14H16N4O2/c1-9-6-13(15)18(17-9)7-14(19)16-11-8-20-12-5-3-2-4-10(11)12/h2-6,11H,7-8,15H2,1H3,(H,16,19)
InChIKeySPSBGARRSPCPMM-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.02
Rot. Bonds3

About 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide (PubChem CID 91780001) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
PubChem CID91780001
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
SMILESCc1cc(N)n(CC(=O)NC2COc3ccccc32)n1
InChIInChI=1S/C14H16N4O2/c1-9-6-13(15)18(17-9)7-14(19)16-11-8-20-12-5-3-2-4-10(11)12/h2-6,11H,7-8,15H2,1H3,(H,16,19)
InChIKeySPSBGARRSPCPMM-UHFFFAOYSA-N
XLogP1.02
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 95189399
2-(4-aminopiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 79328345
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
CID 115604588
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 97003504
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 97015881
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
1-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 118557523
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 34945503
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 62065032
N-(2,3-dihydro-1-benzofuran-3-yl)-3-piperidin-1-ylpropanamide
CID 91785327

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide (CID 91780001) is 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide is Cc1cc(N)n(CC(=O)NC2COc3ccccc32)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide?
The InChIKey is SPSBGARRSPCPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-6-13(15)18(17-9)7-14(19)16-11-8-20-12-5-3-2-4-10(11)12/h2-6,11H,7-8,15H2,1H3,(H,16,19).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 91780001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).