N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C16H19N3O2 — CID 43546645

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C16H19N3O2/c1-8-11(4)21-15-12(8)6-5-7-13(15)16(20)17-14-9(2)18-19-10(14)3/h5-8,11H,1-4H3,(H,17,20)(H,18,19)
InChIKeyVLGODXQNRKWRHN-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.16
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 43546645) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID43546645
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C16H19N3O2/c1-8-11(4)21-15-12(8)6-5-7-13(15)16(20)17-14-9(2)18-19-10(14)3/h5-8,11H,1-4H3,(H,17,20)(H,18,19)
InChIKeyVLGODXQNRKWRHN-UHFFFAOYSA-N
XLogP3.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 43546645) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1cccc2c1OC(C)C2C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is VLGODXQNRKWRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-8-11(4)21-15-12(8)6-5-7-13(15)16(20)17-14-9(2)18-19-10(14)3/h5-8,11H,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 43546645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).