N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide

C20H17ClN4O2 — CID 55479906

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(C#N)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H17ClN4O2/c1-13-10-19(25(24-13)17-5-3-4-16(21)11-17)23-20(26)14(2)27-18-8-6-15(12-22)7-9-18/h3-11,14H,1-2H3,(H,23,26)
InChIKeyQMSICFOMBRPJLI-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.11
Rot. Bonds5

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide (PubChem CID 55479906) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
PubChem CID55479906
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(C#N)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H17ClN4O2/c1-13-10-19(25(24-13)17-5-3-4-16(21)11-17)23-20(26)14(2)27-18-8-6-15(12-22)7-9-18/h3-11,14H,1-2H3,(H,23,26)
InChIKeyQMSICFOMBRPJLI-UHFFFAOYSA-N
XLogP4.11
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide 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-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 51096801
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686272
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55366169
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55543607
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7977765
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55377190
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
CID 45154155
2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide
CID 71856519
(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
CID 7670178
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide (CID 55479906) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide is Cc1cc(NC(=O)C(C)Oc2ccc(C#N)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide?
The InChIKey is QMSICFOMBRPJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13-10-19(25(24-13)17-5-3-4-16(21)11-17)23-20(26)14(2)27-18-8-6-15(12-22)7-9-18/h3-11,14H,1-2H3,(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide has a molecular weight of 380.84 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 55479906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).