N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide

C16H18N4O2 — CID 108760008

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C16H18N4O2/c1-12-6-3-4-7-14(12)22-9-5-8-15(21)19-16-13(10-17)11-18-20(16)2/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,19,21)
InChIKeyCCUZMXRQWYUILM-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.40
Rot. Bonds6

About N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide

N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide (PubChem CID 108760008) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
PubChem CID108760008
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C16H18N4O2/c1-12-6-3-4-7-14(12)22-9-5-8-15(21)19-16-13(10-17)11-18-20(16)2/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,19,21)
InChIKeyCCUZMXRQWYUILM-UHFFFAOYSA-N
XLogP2.40
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide
CID 108737029
N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
CID 112723814
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 112723108
3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108802409
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-(4-methoxyphenoxy)butanamide
CID 108769476
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide
CID 108769540
N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557634
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide
CID 17088858
1-[(4-cyano-1-methylpyrazol-5-yl)amino]-3-[3-(2,4-dimethylphenoxy)propyl]urea
CID 18716911

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide (CID 108760008) is N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)Nc1c(C#N)cnn1C.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide?
The InChIKey is CCUZMXRQWYUILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-6-3-4-7-14(12)22-9-5-8-15(21)19-16-13(10-17)11-18-20(16)2/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide?
N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide has a molecular weight of 298.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 108760008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).