N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide

C18H21N3O2 — CID 24791262

IUPACN,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(C)Cc3ccn[nH]3)c(C)c2c1
InChIInChI=1S/C18H21N3O2/c1-4-5-13-6-7-16-15(10-13)12(2)17(23-16)18(22)21(3)11-14-8-9-19-20-14/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyLEQIGMFTXUBRNT-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.69
Rot. Bonds5

About N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide

N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 24791262) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID24791262
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(C)Cc3ccn[nH]3)c(C)c2c1
InChIInChI=1S/C18H21N3O2/c1-4-5-13-6-7-16-15(10-13)12(2)17(23-16)18(22)21(3)11-14-8-9-19-20-14/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyLEQIGMFTXUBRNT-UHFFFAOYSA-N
XLogP3.69
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide (CID 24791262) is N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)N(C)Cc3ccn[nH]3)c(C)c2c1.
What is the InChIKey of N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is LEQIGMFTXUBRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-5-13-6-7-16-15(10-13)12(2)17(23-16)18(22)21(3)11-14-8-9-19-20-14/h6-10H,4-5,11H2,1-3H3,(H,19,20).
What are the key properties of N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide?
N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24791262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).