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

C19H17N3O2 — CID 119042287

IUPACN-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C19H17N3O2/c1-13-12-20-22(15-8-3-2-4-9-15)18(13)21-19(23)17-11-14-7-5-6-10-16(14)24-17/h2-10,12,17H,11H2,1H3,(H,21,23)
InChIKeyOUXAEORGKRZIEM-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.12
Rot. Bonds3

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

N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 119042287) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID119042287
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C19H17N3O2/c1-13-12-20-22(15-8-3-2-4-9-15)18(13)21-19(23)17-11-14-7-5-6-10-16(14)24-17/h2-10,12,17H,11H2,1H3,(H,21,23)
InChIKeyOUXAEORGKRZIEM-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-methyl-1-phenylpyrazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124510430
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51098079
N-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698841
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25337403
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 119042287) is N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1cnn(-c2ccccc2)c1NC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is OUXAEORGKRZIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-12-20-22(15-8-3-2-4-9-15)18(13)21-19(23)17-11-14-7-5-6-10-16(14)24-17/h2-10,12,17H,11H2,1H3,(H,21,23).
What are the key properties of N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-phenylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119042287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).