N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide

C13H12N4O2 — CID 78913780

IUPACN-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2[nH]ncc2C#N)ccc1C
InChIInChI=1S/C13H12N4O2/c1-8-3-4-9(5-11(8)19-2)13(18)16-12-10(6-14)7-15-17-12/h3-5,7H,1-2H3,(H2,15,16,17,18)
InChIKeyABOUUBFSBBYSOQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.85
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide

N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide (PubChem CID 78913780) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
PubChem CID78913780
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2[nH]ncc2C#N)ccc1C
InChIInChI=1S/C13H12N4O2/c1-8-3-4-9(5-11(8)19-2)13(18)16-12-10(6-14)7-15-17-12/h3-5,7H,1-2H3,(H2,15,16,17,18)
InChIKeyABOUUBFSBBYSOQ-UHFFFAOYSA-N
XLogP1.85
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 115680812
N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 79503659
N-(4-cyano-1H-pyrazol-5-yl)-3-methyl-4-nitrobenzamide
CID 78913751
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide
CID 104880206
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79503179
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
N-(4-cyano-1H-pyrazol-5-yl)-3-methylfuran-2-carboxamide
CID 79503844
3-bromo-N-(4-cyano-1H-pyrazol-5-yl)-5-methylbenzamide
CID 104851534

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide (CID 78913780) is N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2[nH]ncc2C#N)ccc1C.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide?
The InChIKey is ABOUUBFSBBYSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-3-4-9(5-11(8)19-2)13(18)16-12-10(6-14)7-15-17-12/h3-5,7H,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide?
N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide has a molecular weight of 256.27 g/mol, XLogP of 1.85, 3 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)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 78913780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).