N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide

C17H19Cl2N3O2 — CID 119042405

IUPACN-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)NC2COc3c2ccc(Cl)c3Cl)c1C
InChIInChI=1S/C17H19Cl2N3O2/c1-4-7-22-10(3)14(9(2)21-22)17(23)20-13-8-24-16-11(13)5-6-12(18)15(16)19/h5-6,13H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyLFELDEKQZBFGMM-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.08
Rot. Bonds4

About N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide

N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide (PubChem CID 119042405) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
PubChem CID119042405
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC NameN-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)NC2COc3c2ccc(Cl)c3Cl)c1C
InChIInChI=1S/C17H19Cl2N3O2/c1-4-7-22-10(3)14(9(2)21-22)17(23)20-13-8-24-16-11(13)5-6-12(18)15(16)19/h5-6,13H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyLFELDEKQZBFGMM-UHFFFAOYSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide (CID 119042405) is N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide is CCCn1nc(C)c(C(=O)NC2COc3c2ccc(Cl)c3Cl)c1C.
What is the InChIKey of N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is LFELDEKQZBFGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c1-4-7-22-10(3)14(9(2)21-22)17(23)20-13-8-24-16-11(13)5-6-12(18)15(16)19/h5-6,13H,4,7-8H2,1-3H3,(H,20,23).
What are the key properties of N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide?
N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 368.26 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 119042405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).