N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C14H16N4O2 — CID 115319761

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNc1cnn(CCNC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H16N4O2/c15-12-8-17-18(9-12)5-4-16-14(19)11-1-2-13-10(7-11)3-6-20-13/h1-2,7-9H,3-6,15H2,(H,16,19)
InChIKeyIXAHJBQKPQLSDP-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.83
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 115319761) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID115319761
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNc1cnn(CCNC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H16N4O2/c15-12-8-17-18(9-12)5-4-16-14(19)11-1-2-13-10(7-11)3-6-20-13/h1-2,7-9H,3-6,15H2,(H,16,19)
InChIKeyIXAHJBQKPQLSDP-UHFFFAOYSA-N
XLogP0.83
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
CID 115319726
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
CID 115319665
N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 146153267
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide
CID 115319557
N-(6-iodohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107848625
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79530883
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide
CID 113285893
N-[(E)-4-aminobut-2-enyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113414856
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 115319761) is N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is Nc1cnn(CCNC(=O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is IXAHJBQKPQLSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-12-8-17-18(9-12)5-4-16-14(19)11-1-2-13-10(7-11)3-6-20-13/h1-2,7-9H,3-6,15H2,(H,16,19).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.83, 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]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 115319761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).