N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

C13H13N3O2 — CID 112691407

IUPACN-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1cn[nH]c1NC(=O)C1COc2ccccc21
InChIInChI=1S/C13H13N3O2/c1-8-6-14-16-12(8)15-13(17)10-7-18-11-5-3-2-4-9(10)11/h2-6,10H,7H2,1H3,(H2,14,15,16,17)
InChIKeyOVPGBYGAYZGEDI-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.83
Rot. Bonds2

About N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 112691407) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID112691407
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1cn[nH]c1NC(=O)C1COc2ccccc21
InChIInChI=1S/C13H13N3O2/c1-8-6-14-16-12(8)15-13(17)10-7-18-11-5-3-2-4-9(10)11/h2-6,10H,7H2,1H3,(H2,14,15,16,17)
InChIKeyOVPGBYGAYZGEDI-UHFFFAOYSA-N
XLogP1.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 112691321
N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 104757107
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 154872380
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838
4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876586
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 167869501
(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96538964
(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124588262
(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95782971
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 138008983

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 112691407) is N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is Cc1cn[nH]c1NC(=O)C1COc2ccccc21.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is OVPGBYGAYZGEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-6-14-16-12(8)15-13(17)10-7-18-11-5-3-2-4-9(10)11/h2-6,10H,7H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 112691407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).