2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide

C17H20N4O2 — CID 68910922

IUPAC2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C)c(Oc2cc(C)c(C#N)c(C)c2)c1C
InChIInChI=1S/C17H20N4O2/c1-10-6-14(7-11(2)15(10)8-18)23-17-12(3)20-21(13(17)4)9-16(22)19-5/h6-7H,9H2,1-5H3,(H,19,22)
InChIKeyPDTBDNNZZUDNPC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide

2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide (PubChem CID 68910922) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
PubChem CID68910922
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C)c(Oc2cc(C)c(C#N)c(C)c2)c1C
InChIInChI=1S/C17H20N4O2/c1-10-6-14(7-11(2)15(10)8-18)23-17-12(3)20-21(13(17)4)9-16(22)19-5/h6-7H,9H2,1-5H3,(H,19,22)
InChIKeyPDTBDNNZZUDNPC-UHFFFAOYSA-N
XLogP2.53
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide
CID 68913768
ethyl 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 71020571
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 8537519
2-(4-cyano-3,5-dimethylphenoxy)acetic acid
CID 141147610
N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 8538150
2-[3,5-dibromo-4-[3-methyl-2-[2-(methylamino)-2-oxoethyl]indazol-5-yl]oxyanilino]acetic acid
CID 68525377
2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide
CID 90971058
ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 69258943
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
4-[3-cyclopropyl-1-(1,1-dioxothietan-3-yl)-5-(hydroxymethyl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile
CID 69218301
dimethyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8537509
3-amino-5-[1-(2,2-dimethylpropanoyl)-3,5-dimethylpyrazol-4-yl]oxybenzonitrile
CID 89293960

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide (CID 68910922) is 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nc(C)c(Oc2cc(C)c(C#N)c(C)c2)c1C.
What is the InChIKey of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide?
The InChIKey is PDTBDNNZZUDNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-6-14(7-11(2)15(10)8-18)23-17-12(3)20-21(13(17)4)9-16(22)19-5/h6-7H,9H2,1-5H3,(H,19,22).
What are the key properties of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide?
2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide has a molecular weight of 312.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 68910922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).