N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide

C12H10N4O2 — CID 79503659

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C12H10N4O2/c1-18-10-5-3-2-4-9(10)12(17)15-11-8(6-13)7-14-16-11/h2-5,7H,1H3,(H2,14,15,16,17)
InChIKeyMPSCHZXNQBPVLO-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.54
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide

N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide (PubChem CID 79503659) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
PubChem CID79503659
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C12H10N4O2/c1-18-10-5-3-2-4-9(10)12(17)15-11-8(6-13)7-14-16-11/h2-5,7H,1H3,(H2,14,15,16,17)
InChIKeyMPSCHZXNQBPVLO-UHFFFAOYSA-N
XLogP1.54
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 78913780
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79503748
N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79504220
N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide
CID 79802018
2-methoxy-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 146124376
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide
CID 110473786
N-(4-cyano-1H-pyrazol-5-yl)-3-methylfuran-2-carboxamide
CID 79503844
N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide
CID 78913763
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methoxybenzamide
CID 2175832

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide (CID 79503659) is N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide?
The InChIKey is MPSCHZXNQBPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-10-5-3-2-4-9(10)12(17)15-11-8(6-13)7-14-16-11/h2-5,7H,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide?
N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide has a molecular weight of 242.24 g/mol, XLogP of 1.54, 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)-2-methoxybenzamide is sourced from PubChem (CID 79503659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).