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

C19H22N4O2 — CID 68913768

IUPAC2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C2CC2)c(Oc2cc(C)c(C#N)c(C)c2)c1C
InChIInChI=1S/C19H22N4O2/c1-11-7-15(8-12(2)16(11)9-20)25-19-13(3)23(10-17(24)21-4)22-18(19)14-5-6-14/h7-8,14H,5-6,10H2,1-4H3,(H,21,24)
InChIKeyPFOJTRSXUYEGLX-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.10
Rot. Bonds5

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

2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide (PubChem CID 68913768) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide
PubChem CID68913768
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C2CC2)c(Oc2cc(C)c(C#N)c(C)c2)c1C
InChIInChI=1S/C19H22N4O2/c1-11-7-15(8-12(2)16(11)9-20)25-19-13(3)23(10-17(24)21-4)22-18(19)14-5-6-14/h7-8,14H,5-6,10H2,1-4H3,(H,21,24)
InChIKeyPFOJTRSXUYEGLX-UHFFFAOYSA-N
XLogP3.10
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 71020571
2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
CID 68910922
ethyl 4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-1-methylpyrazole-5-carboxylate
CID 69174067
ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 69258943
2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide
CID 90971058
4-[3-cyclopropyl-1-(1,1-dioxothietan-3-yl)-5-(hydroxymethyl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile
CID 69218301
2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid
CID 69257439
2-[4-(4-cyano-3,5-dimethylphenoxy)-5-cyclopropyl-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-N-methylacetamide
CID 25116903
tert-butyl 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropylpyrazol-1-yl]-2-methylpropanoate
CID 91006489
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide
CID 30607501
6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile
CID 163870027
4-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile;4-methylbenzenesulfonic acid
CID 159461055

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide (CID 68913768) is 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nc(C2CC2)c(Oc2cc(C)c(C#N)c(C)c2)c1C.
What is the InChIKey of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide?
The InChIKey is PFOJTRSXUYEGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11-7-15(8-12(2)16(11)9-20)25-19-13(3)23(10-17(24)21-4)22-18(19)14-5-6-14/h7-8,14H,5-6,10H2,1-4H3,(H,21,24).
What are the key properties of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide?
2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide has a molecular weight of 338.41 g/mol, XLogP of 3.10, 5 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-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 68913768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).