N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C13H14N4O2 — CID 79530883

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H14N4O2/c14-12-10(7-16-17-12)6-15-13(18)9-1-2-11-8(5-9)3-4-19-11/h1-2,5,7H,3-4,6H2,(H,15,18)(H3,14,16,17)
InChIKeyWYCZZKBRWWIDKZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.86
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 79530883) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID79530883
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H14N4O2/c14-12-10(7-16-17-12)6-15-13(18)9-1-2-11-8(5-9)3-4-19-11/h1-2,5,7H,3-4,6H2,(H,15,18)(H3,14,16,17)
InChIKeyWYCZZKBRWWIDKZ-UHFFFAOYSA-N
XLogP0.86
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 79529850
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide
CID 167856175
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
N-[(E)-4-aminobut-2-enyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113414856
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115319761
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114618555
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 79530883) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is Nc1[nH]ncc1CNC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is WYCZZKBRWWIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-12-10(7-16-17-12)6-15-13(18)9-1-2-11-8(5-9)3-4-19-11/h1-2,5,7H,3-4,6H2,(H,15,18)(H3,14,16,17).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 79530883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).