N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide

C15H16N4O2 — CID 115319732

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCn3cc(N)cn3)cc2c1
InChIInChI=1S/C15H16N4O2/c1-10-2-3-13-11(6-10)7-14(21-13)15(20)17-4-5-19-9-12(16)8-18-19/h2-3,6-9H,4-5,16H2,1H3,(H,17,20)
InChIKeyPRKDWRNONKTDKQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.95
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 115319732) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID115319732
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCn3cc(N)cn3)cc2c1
InChIInChI=1S/C15H16N4O2/c1-10-2-3-13-11(6-10)7-14(21-13)15(20)17-4-5-19-9-12(16)8-18-19/h2-3,6-9H,4-5,16H2,1H3,(H,17,20)
InChIKeyPRKDWRNONKTDKQ-UHFFFAOYSA-N
XLogP1.95
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide
CID 115319750
5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 61459996
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
N-(4-amino-4-sulfanylidenebutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 55101977
(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 63327124
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 46971081
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide (CID 115319732) is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCCn3cc(N)cn3)cc2c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is PRKDWRNONKTDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-2-3-13-11(6-10)7-14(21-13)15(20)17-4-5-19-9-12(16)8-18-19/h2-3,6-9H,4-5,16H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115319732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).