N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide

C13H10N4O2 — CID 79503179

IUPACN-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H10N4O2/c14-4-11-5-15-17-12(11)16-13(18)8-1-2-9-6-19-7-10(9)3-8/h1-3,5H,6-7H2,(H2,15,16,17,18)
InChIKeyYRATZTVXHXRSIE-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.56
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 79503179) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID79503179
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H10N4O2/c14-4-11-5-15-17-12(11)16-13(18)8-1-2-9-6-19-7-10(9)3-8/h1-3,5H,6-7H2,(H2,15,16,17,18)
InChIKeyYRATZTVXHXRSIE-UHFFFAOYSA-N
XLogP1.56
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113236962
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 79496969
N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 78913780
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
N-(4-cyano-1H-pyrazol-5-yl)-3-methyl-4-nitrobenzamide
CID 78913751
N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79504211
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
N-(4-cyano-1H-pyrazol-5-yl)-3-methylfuran-2-carboxamide
CID 79503844

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 79503179) is N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is N#Cc1cn[nH]c1NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is YRATZTVXHXRSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-4-11-5-15-17-12(11)16-13(18)8-1-2-9-6-19-7-10(9)3-8/h1-3,5H,6-7H2,(H2,15,16,17,18).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 79503179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).