N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide

C14H14N4O2 — CID 78913810

IUPACN-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2[nH]ncc2C#N)c1
InChIInChI=1S/C14H14N4O2/c1-10-3-2-4-12(7-10)20-6-5-13(19)17-14-11(8-15)9-16-18-14/h2-4,7,9H,5-6H2,1H3,(H2,16,17,18,19)
InChIKeyYXDCRAKSODGMMO-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.00
Rot. Bonds5

About N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide

N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide (PubChem CID 78913810) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide
PubChem CID78913810
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2[nH]ncc2C#N)c1
InChIInChI=1S/C14H14N4O2/c1-10-3-2-4-12(7-10)20-6-5-13(19)17-14-11(8-15)9-16-18-14/h2-4,7,9H,5-6H2,1H3,(H2,16,17,18,19)
InChIKeyYXDCRAKSODGMMO-UHFFFAOYSA-N
XLogP2.00
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691171
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide
CID 115610134
N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide
CID 65098554
N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
CID 107595790
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
CID 110470623
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide (CID 78913810) is N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2[nH]ncc2C#N)c1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide?
The InChIKey is YXDCRAKSODGMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10-3-2-4-12(7-10)20-6-5-13(19)17-14-11(8-15)9-16-18-14/h2-4,7,9H,5-6H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide?
N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide has a molecular weight of 270.29 g/mol, XLogP of 2.00, 5 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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 78913810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).