N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide

C16H19N3O2 — CID 131924029

IUPACN-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
SMILESCC1Cc2cc(NC(=O)CCc3ccnn3C)ccc2O1
InChIInChI=1S/C16H19N3O2/c1-11-9-12-10-13(3-5-15(12)21-11)18-16(20)6-4-14-7-8-17-19(14)2/h3,5,7-8,10-11H,4,6,9H2,1-2H3,(H,18,20)
InChIKeyDLUWNTCVPZENDB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.31
Rot. Bonds4

About N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide

N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 131924029) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID131924029
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
SMILESCC1Cc2cc(NC(=O)CCc3ccnn3C)ccc2O1
InChIInChI=1S/C16H19N3O2/c1-11-9-12-10-13(3-5-15(12)21-11)18-16(20)6-4-14-7-8-17-19(14)2/h3,5,7-8,10-11H,4,6,9H2,1-2H3,(H,18,20)
InChIKeyDLUWNTCVPZENDB-UHFFFAOYSA-N
XLogP2.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
CID 120537812
N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 166304475
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]acetamide
CID 164641742
2-[4-(methanesulfonamido)triazol-2-yl]-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 112523408
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide
CID 131901784
1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
CID 120528058
4-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenoxy]butanoic acid
CID 120530793
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125179364
2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
CID 120521290
2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide
CID 95131389
diethyl-[(2S)-1-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]amino]-1-oxohexan-2-yl]azanium
CID 7087963
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131900391

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide (CID 131924029) is N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide is CC1Cc2cc(NC(=O)CCc3ccnn3C)ccc2O1.
What is the InChIKey of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is DLUWNTCVPZENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-9-12-10-13(3-5-15(12)21-11)18-16(20)6-4-14-7-8-17-19(14)2/h3,5,7-8,10-11H,4,6,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide?
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 131924029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).