N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide

C20H25N3O2 — CID 70732734

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)CCCc3c(C)n[nH]c3C)oc2c1
InChIInChI=1S/C20H25N3O2/c1-12-8-9-16-13(2)19(25-18(16)11-12)20(24)23(5)10-6-7-17-14(3)21-22-15(17)4/h8-9,11H,6-7,10H2,1-5H3,(H,21,22)
InChIKeyWSLZSBFODCFEIQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.09
Rot. Bonds5

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 70732734) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
PubChem CID70732734
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)CCCc3c(C)n[nH]c3C)oc2c1
InChIInChI=1S/C20H25N3O2/c1-12-8-9-16-13(2)19(25-18(16)11-12)20(24)23(5)10-6-7-17-14(3)21-22-15(17)4/h8-9,11H,6-7,10H2,1-5H3,(H,21,22)
InChIKeyWSLZSBFODCFEIQ-UHFFFAOYSA-N
XLogP4.09
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide (CID 70732734) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)N(C)CCCc3c(C)n[nH]c3C)oc2c1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is WSLZSBFODCFEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-8-9-16-13(2)19(25-18(16)11-12)20(24)23(5)10-6-7-17-14(3)21-22-15(17)4/h8-9,11H,6-7,10H2,1-5H3,(H,21,22).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70732734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).